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

C198H296ClF10N17O15S — CID 158258714

IUPAC2-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
SMILESCC(=O)N1CCC(CC(C)C)CC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCN(S(C)(=O)=O)CC1.CC(C)CC1CCNCC1.CC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(C(=O)O)c(Cl)c1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1ccc2c(c1)OC(F)(F)O2.CC(C)Cc1cccc(C(=O)N(C)C)c1.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.CCC(=O)c1ccc(CC(C)C)cc1.CNC(=O)c1cccc(CC(C)C)c1.Cc1cc(CC(C)C)ccc1C(=O)O
InChIInChI=1S/2C13H19NO.C13H18O.C12H17NO.C12H16O2.C11H13ClO2.C11H13F3O.C11H12F2O2.C11H14F2O.C11H21NO.C10H21NO2S.C10H21N.C9H11F3N2.C9H19N.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;1-4-13(14)12-7-5-11(6-8-12)9-10(2)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)7-9-5-3-4-6-10(9)14-11(12)13;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;1-9(2)8-10-4-6-11(3)7-5-10;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12;1-8(2)7-9-3-5-10-6-4-9;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;5-8,10H,4,9H2,1-3H3;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;3-6,8,11H,7H2,1-2H3;9,11H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;3-4,6H,5H2,1-2H3;8-10H,3-7H2,1-2H3;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
InChIKeyGHPJLUHPHCAIDS-UHFFFAOYSA-N
MW3412.15 g/mol
LogP48.18
Rot. Bonds49

About 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

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 (PubChem CID 158258714) has the molecular formula C198H296ClF10N17O15S and a molecular weight of 3412.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158258714
Molecular FormulaC198H296ClF10N17O15S
Molecular Weight3412.15 g/mol
Exact Mass3409.22
IUPAC Name2-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
SMILESCC(=O)N1CCC(CC(C)C)CC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCN(S(C)(=O)=O)CC1.CC(C)CC1CCNCC1.CC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(C(=O)O)c(Cl)c1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1ccc2c(c1)OC(F)(F)O2.CC(C)Cc1cccc(C(=O)N(C)C)c1.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.CCC(=O)c1ccc(CC(C)C)cc1.CNC(=O)c1cccc(CC(C)C)c1.Cc1cc(CC(C)C)ccc1C(=O)O
InChIInChI=1S/2C13H19NO.C13H18O.C12H17NO.C12H16O2.C11H13ClO2.C11H13F3O.C11H12F2O2.C11H14F2O.C11H21NO.C10H21NO2S.C10H21N.C9H11F3N2.C9H19N.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;1-4-13(14)12-7-5-11(6-8-12)9-10(2)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)7-9-5-3-4-6-10(9)14-11(12)13;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;1-9(2)8-10-4-6-11(3)7-5-10;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12;1-8(2)7-9-3-5-10-6-4-9;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;5-8,10H,4,9H2,1-3H3;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;3-6,8,11H,7H2,1-2H3;9,11H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;3-4,6H,5H2,1-2H3;8-10H,3-7H2,1-2H3;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
InChIKeyGHPJLUHPHCAIDS-UHFFFAOYSA-N
XLogP48.18
TPSA400.17 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds49
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003412.15
LogP ≤ 548.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 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 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
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
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
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-(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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(CC(C)C)CC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCN(S(C)(=O)=O)CC1.CC(C)CC1CCNCC1.CC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(C(=O)O)c(Cl)c1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1ccc2c(c1)OC(F)(F)O2.CC(C)Cc1cccc(C(=O)N(C)C)c1.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.CCC(=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;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?
The InChIKey is GHPJLUHPHCAIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19NO.C13H18O.C12H17NO.C12H16O2.C11H13ClO2.C11H13F3O.C11H12F2O2.C11H14F2O.C11H21NO.C10H21NO2S.C10H21N.C9H11F3N2.C9H19N.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;1-4-13(14)12-7-5-11(6-8-12)9-10(2)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)7-9-5-3-4-6-10(9)14-11(12)13;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;1-9(2)8-10-4-6-11(3)7-5-10;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12;1-8(2)7-9-3-5-10-6-4-9;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;5-8,10H,4,9H2,1-3H3;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;3-6,8,11H,7H2,1-2H3;9,11H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;3-4,6H,5H2,1-2H3;8-10H,3-7H2,1-2H3;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;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?
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 has a molecular weight of 3412.15 g/mol, XLogP of 48.18, 49 rotatable bonds, 4 hydrogen bond donors, and 25 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;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 is sourced from PubChem (CID 158258714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).