4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide

C25H20N2O — CID 10155681

IUPAC4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide
SMILESNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C25H20N2O/c26-25(28)19-10-13-20(14-11-19)27-23-15-12-17-6-4-5-9-21(17)22(23)16-24(27)18-7-2-1-3-8-18/h1-11,13-14,16H,12,15H2,(H2,26,28)
InChIKeyXCHYNDIYIXDXFY-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.01
Rot. Bonds3

About 4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide

4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide (PubChem CID 10155681) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide.

Molecular Properties

Compound Name4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide
PubChem CID10155681
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide
SMILESNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C25H20N2O/c26-25(28)19-10-13-20(14-11-19)27-23-15-12-17-6-4-5-9-21(17)22(23)16-24(27)18-7-2-1-3-8-18/h1-11,13-14,16H,12,15H2,(H2,26,28)
InChIKeyXCHYNDIYIXDXFY-UHFFFAOYSA-N
XLogP5.01
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide?
The IUPAC name of 4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide (CID 10155681) is 4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide.
What is the SMILES notation for 4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide?
The canonical SMILES for 4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide is NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)cc1.
What is the InChIKey of 4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide?
The InChIKey is XCHYNDIYIXDXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c26-25(28)19-10-13-20(14-11-19)27-23-15-12-17-6-4-5-9-21(17)22(23)16-24(27)18-7-2-1-3-8-18/h1-11,13-14,16H,12,15H2,(H2,26,28).
What are the key properties of 4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide?
4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide is sourced from PubChem (CID 10155681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).