1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide

C25H24N2O2 — CID 20954736

IUPAC1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2Cc3ccccc3N2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-2-18-12-14-19(15-13-18)17-26-24(28)23-16-21-10-6-7-11-22(21)27(23)25(29)20-8-4-3-5-9-20/h3-15,23H,2,16-17H2,1H3,(H,26,28)
InChIKeyXCVBLDLEIDWQMA-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.14
Rot. Bonds5

About 1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide

1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 20954736) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
PubChem CID20954736
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2Cc3ccccc3N2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-2-18-12-14-19(15-13-18)17-26-24(28)23-16-21-10-6-7-11-22(21)27(23)25(29)20-8-4-3-5-9-20/h3-15,23H,2,16-17H2,1H3,(H,26,28)
InChIKeyXCVBLDLEIDWQMA-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide
CID 20954717
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954542
(3R)-2-(benzenesulfonyl)-N-[(4-ethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075288
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide
CID 20954681
(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 92710318
1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954620
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200
methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate
CID 95593895

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide (CID 20954736) is 1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide is CCc1ccc(CNC(=O)C2Cc3ccccc3N2C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is XCVBLDLEIDWQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-2-18-12-14-19(15-13-18)17-26-24(28)23-16-21-10-6-7-11-22(21)27(23)25(29)20-8-4-3-5-9-20/h3-15,23H,2,16-17H2,1H3,(H,26,28).
What are the key properties of 1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).