1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide

C24H22N2O — CID 24661406

IUPAC1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
SMILESCc1cccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1C
InChIInChI=1S/C24H22N2O/c1-17-9-8-13-22(18(17)2)25-24(27)21-16-26(15-19-10-4-3-5-11-19)23-14-7-6-12-20(21)23/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyMWZLSXKUYHJUAC-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.56
Rot. Bonds4

About 1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide

1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide (PubChem CID 24661406) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
PubChem CID24661406
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
SMILESCc1cccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1C
InChIInChI=1S/C24H22N2O/c1-17-9-8-13-22(18(17)2)25-24(27)21-16-26(15-19-10-4-3-5-11-19)23-14-7-6-12-20(21)23/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyMWZLSXKUYHJUAC-UHFFFAOYSA-N
XLogP5.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-[(4-bromophenyl)methyl]indole-3-carbonyl]amino]benzoic acid
CID 172864246
2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2953381
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide
CID 55912029
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607
N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
CID 129375242
N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 3978712
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide
CID 26718991

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide (CID 24661406) is 1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide is Cc1cccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1C.
What is the InChIKey of 1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide?
The InChIKey is MWZLSXKUYHJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-17-9-8-13-22(18(17)2)25-24(27)21-16-26(15-19-10-4-3-5-11-19)23-14-7-6-12-20(21)23/h3-14,16H,15H2,1-2H3,(H,25,27).
What are the key properties of 1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide?
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide is sourced from PubChem (CID 24661406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).