N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide

C24H22N2O — CID 4785719

IUPACN-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2c1C
InChIInChI=1S/C24H22N2O/c1-16-17(2)25-23-13-12-20(15-21(16)23)24(27)26-22-11-7-6-10-19(22)14-18-8-4-3-5-9-18/h3-13,15,25H,14H2,1-2H3,(H,26,27)
InChIKeyTVEOXWUKRHXSIM-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.63
Rot. Bonds4

About N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 4785719) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID4785719
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC NameN-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2c1C
InChIInChI=1S/C24H22N2O/c1-16-17(2)25-23-13-12-20(15-21(16)23)24(27)26-22-11-7-6-10-19(22)14-18-8-4-3-5-9-18/h3-13,15,25H,14H2,1-2H3,(H,26,27)
InChIKeyTVEOXWUKRHXSIM-UHFFFAOYSA-N
XLogP5.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26581665
2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide
CID 46434037
4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide
CID 129206265
2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
CID 55736357
2,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)-1H-indole-5-carboxamide
CID 46636880
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 9327727
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 43073972
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692
benzyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 50888023
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 4785719) is N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2c1C.
What is the InChIKey of N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is TVEOXWUKRHXSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-16-17(2)25-23-13-12-20(15-21(16)23)24(27)26-22-11-7-6-10-19(22)14-18-8-4-3-5-9-18/h3-13,15,25H,14H2,1-2H3,(H,26,27).
What are the key properties of N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 4785719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).