(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide

C24H22N2O2 — CID 92710318

IUPAC(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1C
InChIInChI=1S/C24H22N2O2/c1-16-12-13-20(14-17(16)2)25-23(27)22-15-19-10-6-7-11-21(19)26(22)24(28)18-8-4-3-5-9-18/h3-14,22H,15H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyNFPYMHUZXNHZEW-QFIPXVFZSA-N
MW370.45 g/mol
LogP4.51
Rot. Bonds3

About (2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide

(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 92710318) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
PubChem CID92710318
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1C
InChIInChI=1S/C24H22N2O2/c1-16-12-13-20(14-17(16)2)25-23(27)22-15-19-10-6-7-11-21(19)26(22)24(28)18-8-4-3-5-9-18/h3-14,22H,15H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyNFPYMHUZXNHZEW-QFIPXVFZSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954591
1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951
1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide
CID 20954681
(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 40829167
1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825942
N-(3,4-dimethylphenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108967984
(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide
CID 92710254
1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20954736
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954315
1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide
CID 20954717
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
tert-butyl 2-[(3,4-dichlorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 46214621

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide (CID 92710318) is (2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1C.
What is the InChIKey of (2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is NFPYMHUZXNHZEW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-12-13-20(14-17(16)2)25-23(27)22-15-19-10-6-7-11-21(19)26(22)24(28)18-8-4-3-5-9-18/h3-14,22H,15H2,1-2H3,(H,25,27)/t22-/m0/s1.
What are the key properties of (2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide?
(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 92710318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).