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

C235H384ClF12N17O14S — CID 158422838

IUPAC2-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
SMILESCC(=O)N1CCC(CC(C)C)CC1.CC(C)CC12CCC(C(N)=O)(CC1)CC2.CC(C)CC12CCC(CC1)CC2.CC(C)CC1CCC(C(=O)N(C)C)CC1.CC(C)CC1CCC(F)(F)CC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.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)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.Cc1cc(CC(C)C)ccc1C(=O)O
InChIInChI=1S/C13H23NO.C13H25NO.C13H19NO.C12H16O2.C12H22.C11H13ClO2.C11H13F3O.C11H12F2O2.C11H14F2O.C11H21NO.C10H18F2.C10H21NO2S.C10H21N.C10H20.C9H11F3N2.C9H19N.2C9H13N.C9H18.3C8H12N2.C8H16/c1-10(2)9-12-3-6-13(7-4-12,8-5-12)11(14)15;2*1-10(2)9-11-5-7-12(8-6-11)13(15)14(3)4;1-8(2)6-10-4-5-11(12(13)14)9(3)7-10;1-10(2)9-12-6-3-11(4-7-12)5-8-12;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;1-8(2)7-9-3-5-10(11,12)6-4-9;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;1-9(2)8-10-6-4-3-5-7-10;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;1-8(2)7-9-5-3-4-6-9;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;1-7(2)6-8-4-3-5-8/h10H,3-9H2,1-2H3,(H2,14,15);10-12H,5-9H2,1-4H3;5-8,10H,9H2,1-4H3;4-5,7-8H,6H2,1-3H3,(H,13,14);10-11H,3-9H2,1-2H3;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;8-9H,3-7H2,1-2H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;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;8-9H,3-7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyHARSFARTPOPZQT-UHFFFAOYSA-N
MW3967.26 g/mol
LogP63.19
Rot. Bonds55

About 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

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 (PubChem CID 158422838) has the molecular formula C235H384ClF12N17O14S and a molecular weight of 3967.26 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;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.

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;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
PubChem CID158422838
Molecular FormulaC235H384ClF12N17O14S
Molecular Weight3967.26 g/mol
Exact Mass3963.91
IUPAC Name2-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
SMILESCC(=O)N1CCC(CC(C)C)CC1.CC(C)CC12CCC(C(N)=O)(CC1)CC2.CC(C)CC12CCC(CC1)CC2.CC(C)CC1CCC(C(=O)N(C)C)CC1.CC(C)CC1CCC(F)(F)CC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.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)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.Cc1cc(CC(C)C)ccc1C(=O)O
InChIInChI=1S/C13H23NO.C13H25NO.C13H19NO.C12H16O2.C12H22.C11H13ClO2.C11H13F3O.C11H12F2O2.C11H14F2O.C11H21NO.C10H18F2.C10H21NO2S.C10H21N.C10H20.C9H11F3N2.C9H19N.2C9H13N.C9H18.3C8H12N2.C8H16/c1-10(2)9-12-3-6-13(7-4-12,8-5-12)11(14)15;2*1-10(2)9-11-5-7-12(8-6-11)13(15)14(3)4;1-8(2)6-10-4-5-11(12(13)14)9(3)7-10;1-10(2)9-12-6-3-11(4-7-12)5-8-12;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;1-8(2)7-9-3-5-10(11,12)6-4-9;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;1-9(2)8-10-6-4-3-5-7-10;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;1-8(2)7-9-5-3-4-6-9;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;1-7(2)6-8-4-3-5-8/h10H,3-9H2,1-2H3,(H2,14,15);10-12H,5-9H2,1-4H3;5-8,10H,9H2,1-4H3;4-5,7-8H,6H2,1-3H3,(H,13,14);10-11H,3-9H2,1-2H3;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;8-9H,3-7H2,1-2H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;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;8-9H,3-7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyHARSFARTPOPZQT-UHFFFAOYSA-N
XLogP63.19
TPSA397.09 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds55
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003967.26
LogP ≤ 563.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 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 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;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

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;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?
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;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) is 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.
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;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?
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;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 is CC(=O)N1CCC(CC(C)C)CC1.CC(C)CC12CCC(C(N)=O)(CC1)CC2.CC(C)CC12CCC(CC1)CC2.CC(C)CC1CCC(C(=O)N(C)C)CC1.CC(C)CC1CCC(F)(F)CC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.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)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.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;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?
The InChIKey is HARSFARTPOPZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C13H25NO.C13H19NO.C12H16O2.C12H22.C11H13ClO2.C11H13F3O.C11H12F2O2.C11H14F2O.C11H21NO.C10H18F2.C10H21NO2S.C10H21N.C10H20.C9H11F3N2.C9H19N.2C9H13N.C9H18.3C8H12N2.C8H16/c1-10(2)9-12-3-6-13(7-4-12,8-5-12)11(14)15;2*1-10(2)9-11-5-7-12(8-6-11)13(15)14(3)4;1-8(2)6-10-4-5-11(12(13)14)9(3)7-10;1-10(2)9-12-6-3-11(4-7-12)5-8-12;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;1-8(2)7-9-3-5-10(11,12)6-4-9;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;1-9(2)8-10-6-4-3-5-7-10;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;1-8(2)7-9-5-3-4-6-9;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;1-7(2)6-8-4-3-5-8/h10H,3-9H2,1-2H3,(H2,14,15);10-12H,5-9H2,1-4H3;5-8,10H,9H2,1-4H3;4-5,7-8H,6H2,1-3H3,(H,13,14);10-11H,3-9H2,1-2H3;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;8-9H,3-7H2,1-2H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;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;8-9H,3-7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;7-8H,3-6H2,1-2H3.
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;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?
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 has a molecular weight of 3967.26 g/mol, XLogP of 63.19, 55 rotatable bonds, 4 hydrogen bond donors, and 24 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;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 is sourced from PubChem (CID 158422838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).