1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide

C23H19ClN2O2 — CID 20954591

IUPAC1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C23H19ClN2O2/c1-15-11-12-18(24)14-19(15)25-22(27)21-13-17-9-5-6-10-20(17)26(21)23(28)16-7-3-2-4-8-16/h2-12,14,21H,13H2,1H3,(H,25,27)
InChIKeyHPZMHYAEIDDLJW-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.86
Rot. Bonds3

About 1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide

1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 20954591) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide
PubChem CID20954591
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C23H19ClN2O2/c1-15-11-12-18(24)14-19(15)25-22(27)21-13-17-9-5-6-10-20(17)26(21)23(28)16-7-3-2-4-8-16/h2-12,14,21H,13H2,1H3,(H,25,27)
InChIKeyHPZMHYAEIDDLJW-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 92710318
1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide
CID 20954681
(3R)-N-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2361558
1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951
1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825942
(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428763
methyl 2-[[(3R)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-chlorobenzoate
CID 2096519
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049544
(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147929
1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20954736
1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide
CID 20954717
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide (CID 20954591) is 1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1Cc2ccccc2N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is HPZMHYAEIDDLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-15-11-12-18(24)14-19(15)25-22(27)21-13-17-9-5-6-10-20(17)26(21)23(28)16-7-3-2-4-8-16/h2-12,14,21H,13H2,1H3,(H,25,27).
What are the key properties of 1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide?
1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).