1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide

C26H24N2O2 — CID 20954681

IUPAC1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)C1Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C26H24N2O2/c29-25(27-22-15-8-13-18-9-4-6-14-21(18)22)24-17-20-12-5-7-16-23(20)28(24)26(30)19-10-2-1-3-11-19/h1-3,5,7-8,10-13,15-16,24H,4,6,9,14,17H2,(H,27,29)
InChIKeyIAVGWGMDQVNTFR-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.78
Rot. Bonds3

About 1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide

1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide (PubChem CID 20954681) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide
PubChem CID20954681
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)C1Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C26H24N2O2/c29-25(27-22-15-8-13-18-9-4-6-14-21(18)22)24-17-20-12-5-7-16-23(20)28(24)26(30)19-10-2-1-3-11-19/h1-3,5,7-8,10-13,15-16,24H,4,6,9,14,17H2,(H,27,29)
InChIKeyIAVGWGMDQVNTFR-UHFFFAOYSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.78
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
(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 92710318
1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20954736
2-(4-methylphenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 53091355
2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791578
(1R,6S)-6-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40873086
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2S)-1-(3-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 28978868
1-benzyl-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 16545680
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide
CID 20954717

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide (CID 20954681) is 1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide is O=C(Nc1cccc2c1CCCC2)C1Cc2ccccc2N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is IAVGWGMDQVNTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c29-25(27-22-15-8-13-18-9-4-6-14-21(18)22)24-17-20-12-5-7-16-23(20)28(24)26(30)19-10-2-1-3-11-19/h1-3,5,7-8,10-13,15-16,24H,4,6,9,14,17H2,(H,27,29).
What are the key properties of 1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide?
1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).