N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide

C129H157ClN16O8 — CID 158462371

IUPACN-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1.CC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1.CCCCCCCCNC(=O)c1cc2ccccc2[nH]1.CCCCCCCNC(=O)c1cc2ccccc2[nH]1.C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1cc3ccccc3[nH]1)C2(C)C.O=C(NC1CCCC1)c1cc2ccccc2[nH]1.O=C(NC1CCCCC1)c1cc2ccccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H24N2O.C17H24N2O.C16H13ClN2O.2C16H20N2O.C16H22N2O.C15H18N2O.C14H16N2O/c1-11-14-9-13(19(14,2)3)10-16(11)21-18(22)17-8-12-6-4-5-7-15(12)20-17;1-2-3-4-5-6-9-12-18-17(20)16-13-14-10-7-8-11-15(14)19-16;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15;2*1-11-6-8-13(9-7-11)17-16(19)15-10-12-4-2-3-5-14(12)18-15;1-2-3-4-5-8-11-17-16(19)15-12-13-9-6-7-10-14(13)18-15;18-15(16-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)17-14;17-14(15-11-6-2-3-7-11)13-9-10-5-1-4-8-12(10)16-13/h4-8,11,13-14,16,20H,9-10H2,1-3H3,(H,21,22);7-8,10-11,13,19H,2-6,9,12H2,1H3,(H,18,20);1-9,19H,10H2,(H,18,20);2*2-5,10-11,13,18H,6-9H2,1H3,(H,17,19);6-7,9-10,12,18H,2-5,8,11H2,1H3,(H,17,19);4-6,9-10,12,17H,1-3,7-8H2,(H,16,18);1,4-5,8-9,11,16H,2-3,6-7H2,(H,15,17)/t11-,13+,14-,16-;;;;;;;/m1......./s1
InChIKeyHFIKDPJZJHJPPO-LMIXYVERSA-N
MW2095.23 g/mol
LogP28.87
Rot. Bonds28

About N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide

N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide (PubChem CID 158462371) has the molecular formula C129H157ClN16O8 and a molecular weight of 2095.23 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide
PubChem CID158462371
Molecular FormulaC129H157ClN16O8
Molecular Weight2095.23 g/mol
Exact Mass2093.21
IUPAC NameN-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1.CC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1.CCCCCCCCNC(=O)c1cc2ccccc2[nH]1.CCCCCCCNC(=O)c1cc2ccccc2[nH]1.C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1cc3ccccc3[nH]1)C2(C)C.O=C(NC1CCCC1)c1cc2ccccc2[nH]1.O=C(NC1CCCCC1)c1cc2ccccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H24N2O.C17H24N2O.C16H13ClN2O.2C16H20N2O.C16H22N2O.C15H18N2O.C14H16N2O/c1-11-14-9-13(19(14,2)3)10-16(11)21-18(22)17-8-12-6-4-5-7-15(12)20-17;1-2-3-4-5-6-9-12-18-17(20)16-13-14-10-7-8-11-15(14)19-16;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15;2*1-11-6-8-13(9-7-11)17-16(19)15-10-12-4-2-3-5-14(12)18-15;1-2-3-4-5-8-11-17-16(19)15-12-13-9-6-7-10-14(13)18-15;18-15(16-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)17-14;17-14(15-11-6-2-3-7-11)13-9-10-5-1-4-8-12(10)16-13/h4-8,11,13-14,16,20H,9-10H2,1-3H3,(H,21,22);7-8,10-11,13,19H,2-6,9,12H2,1H3,(H,18,20);1-9,19H,10H2,(H,18,20);2*2-5,10-11,13,18H,6-9H2,1H3,(H,17,19);6-7,9-10,12,18H,2-5,8,11H2,1H3,(H,17,19);4-6,9-10,12,17H,1-3,7-8H2,(H,16,18);1,4-5,8-9,11,16H,2-3,6-7H2,(H,15,17)/t11-,13+,14-,16-;;;;;;;/m1......./s1
InChIKeyHFIKDPJZJHJPPO-LMIXYVERSA-N
XLogP28.87
TPSA359.12 Ų
H-Bond Donors16
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002095.23
LogP ≤ 528.87
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

(5-chloro-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
CID 51002580
(5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
CID 57403900
CID 145956285
CID 145956285
6-(3-chloro-4-fluorophenyl)-N-[(2S)-2,5-diaminopentyl]-5-[5-[2-[[(2S)-2,5-diaminopentyl]carbamoyl]-1H-indol-6-yl]-2,4-difluorophenyl]-1H-indole-2-carboxamide
CID 137447286
hexakis(carbon dioxide);N-[(1R)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(2-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158403841
pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 159341024
hexakis(carbon dioxide);N-[(1R)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide
CID 159514204
8-azaspiro[4.5]decan-8-yl-(5-chloro-1H-indol-2-yl)methanone;7-azaspiro[3.5]nonan-7-yl-(5-chloro-1H-indol-2-yl)methanone;[7-(5-chloro-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;[7-(5-chloro-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-(4-methylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone;[1-[(4-fluorophenyl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-(5-methyl-1H-indol-2-yl)methanone
CID 161352709
5-chloro-7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-methyl-1-phenylpropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylpropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 161927501
(2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone
CID 162129771
(6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone;(4-chloro-1H-indol-2-yl)-[3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone;(6-chloro-1H-indol-2-yl)-[3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone;(7-chloro-1H-indol-2-yl)-[3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone;(4-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone;(7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 163879967
N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-6-(7-chloro-1H-indole-2-carbonyl)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxamide;bis(6-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxamide);methyl thiohypofluorite
CID 163989778

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide (CID 158462371) is N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide is CC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1.CC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1.CCCCCCCCNC(=O)c1cc2ccccc2[nH]1.CCCCCCCNC(=O)c1cc2ccccc2[nH]1.C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1cc3ccccc3[nH]1)C2(C)C.O=C(NC1CCCC1)c1cc2ccccc2[nH]1.O=C(NC1CCCCC1)c1cc2ccccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide?
The InChIKey is HFIKDPJZJHJPPO-LMIXYVERSA-N. The full InChI is InChI=1S/C19H24N2O.C17H24N2O.C16H13ClN2O.2C16H20N2O.C16H22N2O.C15H18N2O.C14H16N2O/c1-11-14-9-13(19(14,2)3)10-16(11)21-18(22)17-8-12-6-4-5-7-15(12)20-17;1-2-3-4-5-6-9-12-18-17(20)16-13-14-10-7-8-11-15(14)19-16;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15;2*1-11-6-8-13(9-7-11)17-16(19)15-10-12-4-2-3-5-14(12)18-15;1-2-3-4-5-8-11-17-16(19)15-12-13-9-6-7-10-14(13)18-15;18-15(16-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)17-14;17-14(15-11-6-2-3-7-11)13-9-10-5-1-4-8-12(10)16-13/h4-8,11,13-14,16,20H,9-10H2,1-3H3,(H,21,22);7-8,10-11,13,19H,2-6,9,12H2,1H3,(H,18,20);1-9,19H,10H2,(H,18,20);2*2-5,10-11,13,18H,6-9H2,1H3,(H,17,19);6-7,9-10,12,18H,2-5,8,11H2,1H3,(H,17,19);4-6,9-10,12,17H,1-3,7-8H2,(H,16,18);1,4-5,8-9,11,16H,2-3,6-7H2,(H,15,17)/t11-,13+,14-,16-;;;;;;;/m1......./s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide?
N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide has a molecular weight of 2095.23 g/mol, XLogP of 28.87, 28 rotatable bonds, 16 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclohexyl-1H-indole-2-carboxamide;N-cyclopentyl-1H-indole-2-carboxamide;N-heptyl-1H-indole-2-carboxamide;bis(N-(4-methylcyclohexyl)-1H-indole-2-carboxamide);N-octyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158462371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).