2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

C223H299ClF15N19O18 — CID 157320436

IUPAC2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(C(=O)O)c(Cl)c1.CC(C)Cc1ccc(C(N)=O)c(F)c1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(F)cc1C(N)=O.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1ccc(OC(F)F)cc1.CC(C)Cc1ccc2c(c1)OC(F)(F)O2.CC(C)Cc1cccc(C(=O)N(C)C)c1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1ccccc1C(N)=O.CC(C)Cc1ccccc1OC(F)F.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccnc(C(F)(F)F)n1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.CNC(=O)c1ccc(CC(C)C)cc1.CNC(=O)c1cccc(CC(C)C)c1.Cc1cc(CC(C)C)ccc1C(=O)O
InChIInChI=1S/2C13H19NO.2C12H17NO.C12H16O2.C11H13ClO2.C11H13F3O.C11H12F2O2.2C11H14F2O.3C11H14FNO.2C11H15NO.C9H11F3N2.2C9H13N.3C8H12N2/c1-10(2)9-11-5-7-12(8-6-11)13(15)14(3)4;1-10(2)8-11-6-5-7-12(9-11)13(15)14(3)4;1-9(2)8-10-4-6-11(7-5-10)12(14)13-3;1-9(2)7-10-5-4-6-11(8-10)12(14)13-3;1-8(2)6-10-4-5-11(12(13)14)9(3)7-10;1-7(2)5-8-3-4-9(11(13)14)10(12)6-8;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-7(2)5-8-3-4-9-10(6-8)15-11(12,13)14-9;1-8(2)7-9-3-5-10(6-4-9)14-11(12)13;1-8(2)7-9-5-3-4-6-10(9)14-11(12)13;1-7(2)5-8-3-4-9(12)6-10(8)11(13)14;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-7(2)5-8-3-4-9(11(13)14)10(12)6-8;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-8(2)7-9-5-3-4-6-10(9)11(12)13;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8/h5-8,10H,9H2,1-4H3;5-7,9-10H,8H2,1-4H3;4-7,9H,8H2,1-3H3,(H,13,14);4-6,8-9H,7H2,1-3H3,(H,13,14);4-5,7-8H,6H2,1-3H3,(H,13,14);3-4,6-7H,5H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-6,8,11H,7H2,1-2H3;3*3-4,6-7H,5H2,1-2H3,(H2,13,14);3-5,7-8H,6H2,1-2H3,(H2,12,13);3-6,8H,7H2,1-2H3,(H2,12,13);3-4,6H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyBECFBMRAZHNNBA-UHFFFAOYSA-N
MW3854.38 g/mol
LogP52.37
Rot. Bonds58

About 2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 157320436) has the molecular formula C223H299ClF15N19O18 and a molecular weight of 3854.38 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
PubChem CID157320436
Molecular FormulaC223H299ClF15N19O18
Molecular Weight3854.38 g/mol
Exact Mass3851.25
IUPAC Name2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(C(=O)O)c(Cl)c1.CC(C)Cc1ccc(C(N)=O)c(F)c1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(F)cc1C(N)=O.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1ccc(OC(F)F)cc1.CC(C)Cc1ccc2c(c1)OC(F)(F)O2.CC(C)Cc1cccc(C(=O)N(C)C)c1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1ccccc1C(N)=O.CC(C)Cc1ccccc1OC(F)F.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccnc(C(F)(F)F)n1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.CNC(=O)c1ccc(CC(C)C)cc1.CNC(=O)c1cccc(CC(C)C)c1.Cc1cc(CC(C)C)ccc1C(=O)O
InChIInChI=1S/2C13H19NO.2C12H17NO.C12H16O2.C11H13ClO2.C11H13F3O.C11H12F2O2.2C11H14F2O.3C11H14FNO.2C11H15NO.C9H11F3N2.2C9H13N.3C8H12N2/c1-10(2)9-11-5-7-12(8-6-11)13(15)14(3)4;1-10(2)8-11-6-5-7-12(9-11)13(15)14(3)4;1-9(2)8-10-4-6-11(7-5-10)12(14)13-3;1-9(2)7-10-5-4-6-11(8-10)12(14)13-3;1-8(2)6-10-4-5-11(12(13)14)9(3)7-10;1-7(2)5-8-3-4-9(11(13)14)10(12)6-8;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-7(2)5-8-3-4-9-10(6-8)15-11(12,13)14-9;1-8(2)7-9-3-5-10(6-4-9)14-11(12)13;1-8(2)7-9-5-3-4-6-10(9)14-11(12)13;1-7(2)5-8-3-4-9(12)6-10(8)11(13)14;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-7(2)5-8-3-4-9(11(13)14)10(12)6-8;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-8(2)7-9-5-3-4-6-10(9)11(12)13;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8/h5-8,10H,9H2,1-4H3;5-7,9-10H,8H2,1-4H3;4-7,9H,8H2,1-3H3,(H,13,14);4-6,8-9H,7H2,1-3H3,(H,13,14);4-5,7-8H,6H2,1-3H3,(H,13,14);3-4,6-7H,5H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-6,8,11H,7H2,1-2H3;3*3-4,6-7H,5H2,1-2H3,(H2,13,14);3-5,7-8H,6H2,1-2H3,(H2,12,13);3-6,8H,7H2,1-2H3,(H2,12,13);3-4,6H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyBECFBMRAZHNNBA-UHFFFAOYSA-N
XLogP52.37
TPSA563.92 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds58
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003854.38
LogP ≤ 552.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine with MolForge

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Related Compounds

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,3-dimethylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(2,2-difluoro-7-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
CID 157590884
2-Chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2-methyl-4-(2-methylpropyl)benzoic acid;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-1-methylsulfonylpiperidine;4-(2-methylpropyl)piperidine;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157713988
2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)benzamide;4-(2-methylpropyl)benzenesulfonic acid;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 157740198
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-methylphenyl)-2-pyridinyl]ethanone;N-[[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]methyl]-2,2,2-trifluoroacetamide;methyl 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]benzoate;molecular hydrogen
CID 157782072
CID 157822041
CID 157822041
2-chloro-4-(2-methylpropyl)benzoic acid;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;1,2-dimethyl-4-(2-methylpropyl)benzene;N,N-dimethyl-4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide;N,N-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxamide;1-fluoro-1-methyl-4-(2-methylpropyl)cyclohexane;5-methylidene-3-[4-(2-methylpropyl)phenyl]-4H-1,2-oxazole;1-methyl-4-(2-methylpropyl)bicyclo[2.2.2]octane;2-methyl-4-(2-methylpropyl)pyrimidine;2-methylpropylbenzene;1-(2-methylpropyl)bicyclo[2.2.2]octane;1-[4-(2-methylpropyl)-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-(2-methylpropyl)-1-bicyclo[2.2.2]octanyl]propan-1-one;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine
CID 157888845
4-[2-(2-Chlorophenyl)pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[2-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(4-methoxyphenyl)pyrimidin-4-yl]benzoic acid;3-[4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;4-[2-(2-methylphenyl)pyrimidin-4-yl]benzoic acid;4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 157940670
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(2,2-difluoro-7-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
CID 157987384
2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide
CID 158017162
2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;1-methyl-4-(2-methylpropyl)piperidine;4-(2-methylpropyl)-1-methylsulfonylpiperidine;1-[4-(2-methylpropyl)phenyl]propan-1-one;4-(2-methylpropyl)piperidine;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 158258714
2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 158298996
2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;1,1-difluoro-4-(2-methylpropyl)cyclohexane;N,N-dimethyl-4-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxamide;2-methyl-4-(2-methylpropyl)benzoic acid;1-methyl-4-(2-methylpropyl)piperidine;1-(2-methylpropyl)bicyclo[2.2.2]octane;4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-1-methylsulfonylpiperidine;4-(2-methylpropyl)piperidine;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 158422838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (CID 157320436) is 2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is CC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(C(=O)O)c(Cl)c1.CC(C)Cc1ccc(C(N)=O)c(F)c1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(F)cc1C(N)=O.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1ccc(OC(F)F)cc1.CC(C)Cc1ccc2c(c1)OC(F)(F)O2.CC(C)Cc1cccc(C(=O)N(C)C)c1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1ccccc1C(N)=O.CC(C)Cc1ccccc1OC(F)F.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccnc(C(F)(F)F)n1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.CNC(=O)c1ccc(CC(C)C)cc1.CNC(=O)c1cccc(CC(C)C)c1.Cc1cc(CC(C)C)ccc1C(=O)O.
What is the InChIKey of 2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is BECFBMRAZHNNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19NO.2C12H17NO.C12H16O2.C11H13ClO2.C11H13F3O.C11H12F2O2.2C11H14F2O.3C11H14FNO.2C11H15NO.C9H11F3N2.2C9H13N.3C8H12N2/c1-10(2)9-11-5-7-12(8-6-11)13(15)14(3)4;1-10(2)8-11-6-5-7-12(9-11)13(15)14(3)4;1-9(2)8-10-4-6-11(7-5-10)12(14)13-3;1-9(2)7-10-5-4-6-11(8-10)12(14)13-3;1-8(2)6-10-4-5-11(12(13)14)9(3)7-10;1-7(2)5-8-3-4-9(11(13)14)10(12)6-8;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-7(2)5-8-3-4-9-10(6-8)15-11(12,13)14-9;1-8(2)7-9-3-5-10(6-4-9)14-11(12)13;1-8(2)7-9-5-3-4-6-10(9)14-11(12)13;1-7(2)5-8-3-4-9(12)6-10(8)11(13)14;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-7(2)5-8-3-4-9(11(13)14)10(12)6-8;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-8(2)7-9-5-3-4-6-10(9)11(12)13;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8/h5-8,10H,9H2,1-4H3;5-7,9-10H,8H2,1-4H3;4-7,9H,8H2,1-3H3,(H,13,14);4-6,8-9H,7H2,1-3H3,(H,13,14);4-5,7-8H,6H2,1-3H3,(H,13,14);3-4,6-7H,5H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-6,8,11H,7H2,1-2H3;3*3-4,6-7H,5H2,1-2H3,(H2,13,14);3-5,7-8H,6H2,1-2H3,(H2,12,13);3-6,8H,7H2,1-2H3,(H2,12,13);3-4,6H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3.
What are the key properties of 2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 3854.38 g/mol, XLogP of 52.37, 58 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 157320436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).