4-(1H-indol-3-yl)-N-phenylbenzamide

C21H16N2O — CID 146637660

IUPAC4-(1H-indol-3-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H16N2O/c24-21(23-17-6-2-1-3-7-17)16-12-10-15(11-13-16)19-14-22-20-9-5-4-8-18(19)20/h1-14,22H,(H,23,24)
InChIKeyNXXXNLQHQNJWFS-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.09
Rot. Bonds3

About 4-(1H-indol-3-yl)-N-phenylbenzamide

4-(1H-indol-3-yl)-N-phenylbenzamide (PubChem CID 146637660) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-phenylbenzamide
PubChem CID146637660
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name4-(1H-indol-3-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H16N2O/c24-21(23-17-6-2-1-3-7-17)16-12-10-15(11-13-16)19-14-22-20-9-5-4-8-18(19)20/h1-14,22H,(H,23,24)
InChIKeyNXXXNLQHQNJWFS-UHFFFAOYSA-N
XLogP5.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1H-indol-3-yl)-N-phenylfuran-3-carboxamide
CID 146637941
N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide
CID 102266591
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
4-(1H-indazol-3-yl)-N-phenylbenzamide
CID 146637903
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
methane;3-phenyl-1H-indole
CID 167711687
4-[2-(1H-indol-3-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 58615628
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
N-(9H-carbazol-3-yl)-4-phenylbenzamide
CID 43917247
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide
CID 68559101
4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid
CID 11500516

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-phenylbenzamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-phenylbenzamide (CID 146637660) is 4-(1H-indol-3-yl)-N-phenylbenzamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-phenylbenzamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-phenylbenzamide?
The InChIKey is NXXXNLQHQNJWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-21(23-17-6-2-1-3-7-17)16-12-10-15(11-13-16)19-14-22-20-9-5-4-8-18(19)20/h1-14,22H,(H,23,24).
What are the key properties of 4-(1H-indol-3-yl)-N-phenylbenzamide?
4-(1H-indol-3-yl)-N-phenylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-phenylbenzamide is sourced from PubChem (CID 146637660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).