5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide

C93H84Cl2N14O7 — CID 158327136

IUPAC5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide
SMILESCC(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N(C)C)cc1.CC(NC(=O)c1cc2ccc(C#N)cc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2ccc(C(N)=O)cc2[nH]1)c1ccccc1.O=C(NC(c1ccccc1)C1CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H20ClN3O2.C19H17ClN2O.C18H17N3O2.2C18H15N3O/c1-12(13-4-6-14(7-5-13)20(26)24(2)3)22-19(25)18-11-15-10-16(21)8-9-17(15)23-18;20-15-8-9-16-14(10-15)11-17(21-16)19(23)22-18(13-6-7-13)12-4-2-1-3-5-12;1-11(12-5-3-2-4-6-12)20-18(23)16-9-13-7-8-14(17(19)22)10-15(13)21-16;1-12(14-5-3-2-4-6-14)20-18(22)17-10-15-9-13(11-19)7-8-16(15)21-17;1-12(14-5-3-2-4-6-14)20-18(22)17-10-15-8-7-13(11-19)9-16(15)21-17/h4-12,23H,1-3H3,(H,22,25);1-5,8-11,13,18,21H,6-7H2,(H,22,23);2-11,21H,1H3,(H2,19,22)(H,20,23);2*2-10,12,21H,1H3,(H,20,22)
InChIKeyGPNYAOZZFZAKOW-UHFFFAOYSA-N
MW1580.69 g/mol
LogP18.54
Rot. Bonds18

About 5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide

5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide (PubChem CID 158327136) has the molecular formula C93H84Cl2N14O7 and a molecular weight of 1580.69 g/mol. Its IUPAC name is 5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide.

Molecular Properties

Compound Name5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide
PubChem CID158327136
Molecular FormulaC93H84Cl2N14O7
Molecular Weight1580.69 g/mol
Exact Mass1578.60
IUPAC Name5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide
SMILESCC(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N(C)C)cc1.CC(NC(=O)c1cc2ccc(C#N)cc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2ccc(C(N)=O)cc2[nH]1)c1ccccc1.O=C(NC(c1ccccc1)C1CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H20ClN3O2.C19H17ClN2O.C18H17N3O2.2C18H15N3O/c1-12(13-4-6-14(7-5-13)20(26)24(2)3)22-19(25)18-11-15-10-16(21)8-9-17(15)23-18;20-15-8-9-16-14(10-15)11-17(21-16)19(23)22-18(13-6-7-13)12-4-2-1-3-5-12;1-11(12-5-3-2-4-6-12)20-18(23)16-9-13-7-8-14(17(19)22)10-15(13)21-16;1-12(14-5-3-2-4-6-14)20-18(22)17-10-15-9-13(11-19)7-8-16(15)21-17;1-12(14-5-3-2-4-6-14)20-18(22)17-10-15-8-7-13(11-19)9-16(15)21-17/h4-12,23H,1-3H3,(H,22,25);1-5,8-11,13,18,21H,6-7H2,(H,22,23);2-11,21H,1H3,(H2,19,22)(H,20,23);2*2-10,12,21H,1H3,(H,20,22)
InChIKeyGPNYAOZZFZAKOW-UHFFFAOYSA-N
XLogP18.54
TPSA335.43 Ų
H-Bond Donors11
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001580.69
LogP ≤ 518.54
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 109

Analyze 5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide with MolForge

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Related Compounds

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
pentakis(carbon dioxide);N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 159936730
7-(4-chlorophenyl)-5-cyano-1H-indole-2-carboxamide;5-cyano-1-methyl-7-[4-(trifluoromethyl)phenyl]indole-2-carboxamide;5-cyano-7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 160091551
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
bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite
CID 164004243
bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite
CID 167702501
2-N,2-N,5-N,5-N-tetrakis[2-(2-aminoethylcarbamoyl)-1-(methoxymethyl)indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 87905890
(2R)-6-amino-N-[4-[bis[4-[[(2R)-6-amino-2-[[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]amino]hexanoyl]amino]phenyl]methyl]phenyl]-2-[[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]amino]hexanamide;hydrochloride
CID 88077124
(2S)-6-amino-N-[4-[bis[4-[[(2S)-6-amino-2-[[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]amino]hexanoyl]amino]phenyl]methyl]phenyl]-2-[[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]amino]hexanamide
CID 91456347
3-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]benzonitrile;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 117978310
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide
CID 157156255

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide?
The IUPAC name of 5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide (CID 158327136) is 5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide.
What is the SMILES notation for 5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide?
The canonical SMILES for 5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide is CC(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N(C)C)cc1.CC(NC(=O)c1cc2ccc(C#N)cc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2ccc(C(N)=O)cc2[nH]1)c1ccccc1.O=C(NC(c1ccccc1)C1CC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide?
The InChIKey is GPNYAOZZFZAKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2.C19H17ClN2O.C18H17N3O2.2C18H15N3O/c1-12(13-4-6-14(7-5-13)20(26)24(2)3)22-19(25)18-11-15-10-16(21)8-9-17(15)23-18;20-15-8-9-16-14(10-15)11-17(21-16)19(23)22-18(13-6-7-13)12-4-2-1-3-5-12;1-11(12-5-3-2-4-6-12)20-18(23)16-9-13-7-8-14(17(19)22)10-15(13)21-16;1-12(14-5-3-2-4-6-14)20-18(22)17-10-15-9-13(11-19)7-8-16(15)21-17;1-12(14-5-3-2-4-6-14)20-18(22)17-10-15-8-7-13(11-19)9-16(15)21-17/h4-12,23H,1-3H3,(H,22,25);1-5,8-11,13,18,21H,6-7H2,(H,22,23);2-11,21H,1H3,(H2,19,22)(H,20,23);2*2-10,12,21H,1H3,(H,20,22).
What are the key properties of 5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide?
5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide has a molecular weight of 1580.69 g/mol, XLogP of 18.54, 18 rotatable bonds, 11 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(dimethylcarbamoyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide is sourced from PubChem (CID 158327136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).