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

C165H221ClF10N10O15 — CID 158298996

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;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
SMILESCC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(C(=O)O)c(Cl)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)Cc1ccccc1C(N)=O.CC(C)Cc1ccccc1OC(F)F.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncn1.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.C11H14FNO.C11H15NO.2C9H13N.C8H12N2/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;1-8(2)7-9-5-3-4-6-10(9)11(12)13;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)5-8-3-4-9-6-10-8/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;3-4,6-7H,5H2,1-2H3,(H2,13,14);3-6,8H,7H2,1-2H3,(H2,12,13);3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3
InChIKeyGMGPYAXGBKJDCG-UHFFFAOYSA-N
MW2810.07 g/mol
LogP40.10
Rot. Bonds43

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;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

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 (PubChem CID 158298996) has the molecular formula C165H221ClF10N10O15 and a molecular weight of 2810.07 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;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.

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;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
PubChem CID158298996
Molecular FormulaC165H221ClF10N10O15
Molecular Weight2810.07 g/mol
Exact Mass2807.64
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;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
SMILESCC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(C(=O)O)c(Cl)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)Cc1ccccc1C(N)=O.CC(C)Cc1ccccc1OC(F)F.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncn1.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.C11H14FNO.C11H15NO.2C9H13N.C8H12N2/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;1-8(2)7-9-5-3-4-6-10(9)11(12)13;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)5-8-3-4-9-6-10-8/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;3-4,6-7H,5H2,1-2H3,(H2,13,14);3-6,8H,7H2,1-2H3,(H2,12,13);3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3
InChIKeyGMGPYAXGBKJDCG-UHFFFAOYSA-N
XLogP40.10
TPSA357.31 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds43
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002810.07
LogP ≤ 540.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

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;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 with MolForge

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Related Compounds

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
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;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;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
2-[3-(3-Chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 159447718
2-[3-(2-Chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-fluoro-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 160388637
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethoxy)benzene;3-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,4-dimethoxypyrimidine;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;3-tert-butylphenol;1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene
CID 160670264
1-Chloro-2,3,4-tri(propan-2-yl)benzene;1-(difluoromethyl)-2,3,4-tri(propan-2-yl)benzene;2,3-dimethyl-4,5,6-tri(propan-2-yl)pyridine;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-5-methyl-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;5-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;5-fluoro-2,3,4-tri(propan-2-yl)pyridine;1-methoxy-2,3,4-tri(propan-2-yl)benzene;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;6-methyl-2,3,4-tri(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)benzamide;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;2,3,4-tri(propan-2-yl)phenol;2,3,4-tri(propan-2-yl)pyridine;4,5,6-tri(propan-2-yl)pyridine-3-carbonitrile;4,5,6-tri(propan-2-yl)pyrimidine;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene
CID 161535371
2-[3-(2-Chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 161904959

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;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?
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;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) 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;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.
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;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?
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;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 is CC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(C(=O)O)c(Cl)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)Cc1ccccc1C(N)=O.CC(C)Cc1ccccc1OC(F)F.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncn1.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;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?
The InChIKey is GMGPYAXGBKJDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19NO.2C12H17NO.C12H16O2.C11H13ClO2.C11H13F3O.C11H12F2O2.2C11H14F2O.C11H14FNO.C11H15NO.2C9H13N.C8H12N2/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;1-8(2)7-9-5-3-4-6-10(9)11(12)13;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)5-8-3-4-9-6-10-8/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;3-4,6-7H,5H2,1-2H3,(H2,13,14);3-6,8H,7H2,1-2H3,(H2,12,13);3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3.
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;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?
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 has a molecular weight of 2810.07 g/mol, XLogP of 40.10, 43 rotatable bonds, 6 hydrogen bond donors, and 17 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;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 is sourced from PubChem (CID 158298996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).