N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide

C22H18N2O2 — CID 89335733

IUPACN-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide
SMILESO=Cc1ccc(N2CCc3ccccc32)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-15-18-10-11-19(24-13-12-16-6-4-5-9-21(16)24)14-20(18)23-22(26)17-7-2-1-3-8-17/h1-11,14-15H,12-13H2,(H,23,26)
InChIKeyWHNLJFJHLWGMSZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.45
Rot. Bonds4

About N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide

N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide (PubChem CID 89335733) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide
PubChem CID89335733
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide
SMILESO=Cc1ccc(N2CCc3ccccc32)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-15-18-10-11-19(24-13-12-16-6-4-5-9-21(16)24)14-20(18)23-22(26)17-7-2-1-3-8-17/h1-11,14-15H,12-13H2,(H,23,26)
InChIKeyWHNLJFJHLWGMSZ-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde
CID 89323258
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182
4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide
CID 38748673
N-[2-(2,3-dihydroindol-1-yl)phenyl]furan-3-carboxamide
CID 43066807
2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
CID 114060001
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-4-fluorobenzamide
CID 113031771
N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242525
N-(3-acetylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242503
N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
CID 112986213
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
N-(4-chlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242479

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide?
The IUPAC name of N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide (CID 89335733) is N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide.
What is the SMILES notation for N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide?
The canonical SMILES for N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide is O=Cc1ccc(N2CCc3ccccc32)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide?
The InChIKey is WHNLJFJHLWGMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-15-18-10-11-19(24-13-12-16-6-4-5-9-21(16)24)14-20(18)23-22(26)17-7-2-1-3-8-17/h1-11,14-15H,12-13H2,(H,23,26).
What are the key properties of N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide?
N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide is sourced from PubChem (CID 89335733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).