4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide

C24H22N2O — CID 129206265

IUPAC4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide
SMILESCc1[nH]c2ccc(Cc3ccc(C(=O)Nc4ccccc4)cc3)cc2c1C
InChIInChI=1S/C24H22N2O/c1-16-17(2)25-23-13-10-19(15-22(16)23)14-18-8-11-20(12-9-18)24(27)26-21-6-4-3-5-7-21/h3-13,15,25H,14H2,1-2H3,(H,26,27)
InChIKeyZNZBWKPXPNVPLU-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.63
Rot. Bonds4

About 4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide

4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide (PubChem CID 129206265) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide
PubChem CID129206265
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide
SMILESCc1[nH]c2ccc(Cc3ccc(C(=O)Nc4ccccc4)cc3)cc2c1C
InChIInChI=1S/C24H22N2O/c1-16-17(2)25-23-13-10-19(15-22(16)23)14-18-8-11-20(12-9-18)24(27)26-21-6-4-3-5-7-21/h3-13,15,25H,14H2,1-2H3,(H,26,27)
InChIKeyZNZBWKPXPNVPLU-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'}

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Related Compounds

3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 118096519
N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 4785719
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692
N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048
N-[3-(butanoylamino)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 87040999
N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 46823002
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26581665
propan-2-yl 4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoate
CID 18288127
methyl N-[4-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 60517718
4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide
CID 129206342
4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide
CID 59058109

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide?
The IUPAC name of 4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide (CID 129206265) is 4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide is Cc1[nH]c2ccc(Cc3ccc(C(=O)Nc4ccccc4)cc3)cc2c1C.
What is the InChIKey of 4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide?
The InChIKey is ZNZBWKPXPNVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-16-17(2)25-23-13-10-19(15-22(16)23)14-18-8-11-20(12-9-18)24(27)26-21-6-4-3-5-7-21/h3-13,15,25H,14H2,1-2H3,(H,26,27).
What are the key properties of 4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide?
4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide 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 4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 129206265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).