1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide

C24H22N2O — CID 7313084

IUPAC1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c1-18(20-12-6-3-7-13-20)25-24(27)23-16-21-14-8-9-15-22(21)26(23)17-19-10-4-2-5-11-19/h2-16,18H,17H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyJOWSFZRBXSGBFR-GOSISDBHSA-N
MW354.45 g/mol
LogP5.18
Rot. Bonds5

About 1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide

1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide (PubChem CID 7313084) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
PubChem CID7313084
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c1-18(20-12-6-3-7-13-20)25-24(27)23-16-21-14-8-9-15-22(21)26(23)17-19-10-4-2-5-11-19/h2-16,18H,17H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyJOWSFZRBXSGBFR-GOSISDBHSA-N
XLogP5.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
4-benzyl-3-bromo-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040335
(2S)-2-[(1-benzylindole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 91639240
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 135086954
1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
CID 11056970
7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217337
1-benzyl-5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 10076887
1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 54311318
6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 93116816
4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324417

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide (CID 7313084) is 1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide is C[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide?
The InChIKey is JOWSFZRBXSGBFR-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22N2O/c1-18(20-12-6-3-7-13-20)25-24(27)23-16-21-14-8-9-15-22(21)26(23)17-19-10-4-2-5-11-19/h2-16,18H,17H2,1H3,(H,25,27)/t18-/m1/s1.
What are the key properties of 1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide?
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide is sourced from PubChem (CID 7313084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).