N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide

C120H106Cl3F3N14O7 — CID 158160423

IUPACN-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1.CC(NC(=O)c1cc2ccccc2[nH]1)c1cccc(Cl)c1.Cc1ccc2[nH]c(C(=O)NC(C)c3cccc(F)c3)cc2c1.O=C(NC(c1ccccc1)C1CC1)c1cc2c(F)cccc2[nH]1.O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H17FN2O.C18H17FN2O.2C17H15ClN2O.C17H15FN2O.C16H13ClN2O.C16H14N2O/c20-15-7-4-8-16-14(15)11-17(21-16)19(23)22-18(13-9-10-13)12-5-2-1-3-6-12;1-11-6-7-16-14(8-11)10-17(21-16)18(22)20-12(2)13-4-3-5-15(19)9-13;1-11(12-6-4-7-14(18)9-12)19-17(21)16-10-13-5-2-3-8-15(13)20-16;1-11(12-6-8-14(18)9-7-12)19-17(21)16-10-13-4-2-3-5-15(13)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15;19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15/h1-8,11,13,18,21H,9-10H2,(H,22,23);3-10,12,21H,1-2H3,(H,20,22);3*2-11,20H,1H3,(H,19,21);1-9,19H,10H2,(H,18,20);1-10,18H,11H2,(H,17,19)
InChIKeyFWEXHAJVZUCHAD-UHFFFAOYSA-N
MW2019.61 g/mol
LogP27.57
Rot. Bonds22

About N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide

N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 158160423) has the molecular formula C120H106Cl3F3N14O7 and a molecular weight of 2019.61 g/mol. Its IUPAC name is N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID158160423
Molecular FormulaC120H106Cl3F3N14O7
Molecular Weight2019.61 g/mol
Exact Mass2016.74
IUPAC NameN-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1.CC(NC(=O)c1cc2ccccc2[nH]1)c1cccc(Cl)c1.Cc1ccc2[nH]c(C(=O)NC(C)c3cccc(F)c3)cc2c1.O=C(NC(c1ccccc1)C1CC1)c1cc2c(F)cccc2[nH]1.O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H17FN2O.C18H17FN2O.2C17H15ClN2O.C17H15FN2O.C16H13ClN2O.C16H14N2O/c20-15-7-4-8-16-14(15)11-17(21-16)19(23)22-18(13-9-10-13)12-5-2-1-3-6-12;1-11-6-7-16-14(8-11)10-17(21-16)18(22)20-12(2)13-4-3-5-15(19)9-13;1-11(12-6-4-7-14(18)9-12)19-17(21)16-10-13-5-2-3-8-15(13)20-16;1-11(12-6-8-14(18)9-7-12)19-17(21)16-10-13-4-2-3-5-15(13)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15;19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15/h1-8,11,13,18,21H,9-10H2,(H,22,23);3-10,12,21H,1-2H3,(H,20,22);3*2-11,20H,1H3,(H,19,21);1-9,19H,10H2,(H,18,20);1-10,18H,11H2,(H,17,19)
InChIKeyFWEXHAJVZUCHAD-UHFFFAOYSA-N
XLogP27.57
TPSA314.23 Ų
H-Bond Donors14
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002019.61
LogP ≤ 527.57
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 107

Analyze N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-[2-[(Z)-(1-benzyl-6-fluoro-2-oxoindol-3-ylidene)-(1H-indol-2-yl)methyl]anilino]-1-(4-chlorophenyl)-2-oxoethyl]benzamide
CID 162413957
N-[(2S)-1-[(1S,4S)-5-[2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]acetyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-5-fluoro-1H-indole-2-carboxamide
CID 44225352
N-[(2S)-1-[(1S,4S)-5-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]acetyl]amino]acetyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-5-fluoro-1H-indole-2-carboxamide
CID 44225596
N-[(2S)-1-[(1S,4S)-5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-7-fluoro-1H-indole-2-carboxamide
CID 67072153
6-chloro-N-[(2S)-1-[(1S,4S)-5-(7-fluoro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67072164
6-chloro-N-[(2S)-1-[(1S,4S)-5-(4-fluoro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67072536
6-chloro-N-[(2S)-1-[(1S,4S)-5-(6-fluoro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67072609
N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-7-fluoro-1H-indole-2-carboxamide
CID 77221278
(2R)-6-amino-N-[4-[bis[4-[[(2R)-6-amino-2-[[2-[2-methyl-5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]hexanoyl]amino]phenyl]methyl]phenyl]-2-[[2-[2-methyl-5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]hexanamide;hydrochloride
CID 87970924
6-chloro-N-[1-[5-(4-fluoro-1H-indole-2-carbonyl)-1-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 90817029
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
2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-N-(3,3-dimethylbutyl)acetamide;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-N-(2,2-dimethylpropyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(3,3-dimethylbutyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide
CID 157405266

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide (CID 158160423) is N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1.CC(NC(=O)c1cc2ccccc2[nH]1)c1cccc(Cl)c1.Cc1ccc2[nH]c(C(=O)NC(C)c3cccc(F)c3)cc2c1.O=C(NC(c1ccccc1)C1CC1)c1cc2c(F)cccc2[nH]1.O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is FWEXHAJVZUCHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O.C18H17FN2O.2C17H15ClN2O.C17H15FN2O.C16H13ClN2O.C16H14N2O/c20-15-7-4-8-16-14(15)11-17(21-16)19(23)22-18(13-9-10-13)12-5-2-1-3-6-12;1-11-6-7-16-14(8-11)10-17(21-16)18(22)20-12(2)13-4-3-5-15(19)9-13;1-11(12-6-4-7-14(18)9-12)19-17(21)16-10-13-5-2-3-8-15(13)20-16;1-11(12-6-8-14(18)9-7-12)19-17(21)16-10-13-4-2-3-5-15(13)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15;19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15/h1-8,11,13,18,21H,9-10H2,(H,22,23);3-10,12,21H,1-2H3,(H,20,22);3*2-11,20H,1H3,(H,19,21);1-9,19H,10H2,(H,18,20);1-10,18H,11H2,(H,17,19).
What are the key properties of N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 2019.61 g/mol, XLogP of 27.57, 22 rotatable bonds, 14 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-indole-2-carboxamide;N-[1-(3-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 158160423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).