2-(3-phenylphenyl)-1H-indole-4-carboxamide

C21H16N2O — CID 22014873

IUPAC2-(3-phenylphenyl)-1H-indole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc12
InChIInChI=1S/C21H16N2O/c22-21(24)17-10-5-11-19-18(17)13-20(23-19)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,23H,(H2,22,24)
InChIKeyZSPCICVVBNRCSI-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.60
Rot. Bonds3

About 2-(3-phenylphenyl)-1H-indole-4-carboxamide

2-(3-phenylphenyl)-1H-indole-4-carboxamide (PubChem CID 22014873) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound Name2-(3-phenylphenyl)-1H-indole-4-carboxamide
PubChem CID22014873
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name2-(3-phenylphenyl)-1H-indole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc12
InChIInChI=1S/C21H16N2O/c22-21(24)17-10-5-11-19-18(17)13-20(23-19)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,23H,(H2,22,24)
InChIKeyZSPCICVVBNRCSI-UHFFFAOYSA-N
XLogP4.60
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-1H-indole-4-carboxamide
CID 22014897
2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
CID 22014955
2-pyridin-3-yl-1H-indole-4-carboxamide
CID 22014956
2-methyl-1H-indole-4-carboxamide;hydrochloride
CID 175902728
9H-carbazole-1-carboxamide;hydrochloride
CID 141272518
1-phenyl-9H-carbazole-2-carboxamide
CID 174872973
4-bromo-2-phenyl-1H-indole
CID 15151163
3-phenylquinoline-5-carboxamide
CID 19033241
2-phenyl-1H-indole-6-carboxamide
CID 69443786
2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide
CID 90414431
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
2-hydroxy-4-phenylbenzamide
CID 19349044

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-1H-indole-4-carboxamide?
The IUPAC name of 2-(3-phenylphenyl)-1H-indole-4-carboxamide (CID 22014873) is 2-(3-phenylphenyl)-1H-indole-4-carboxamide.
What is the SMILES notation for 2-(3-phenylphenyl)-1H-indole-4-carboxamide?
The canonical SMILES for 2-(3-phenylphenyl)-1H-indole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc12.
What is the InChIKey of 2-(3-phenylphenyl)-1H-indole-4-carboxamide?
The InChIKey is ZSPCICVVBNRCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c22-21(24)17-10-5-11-19-18(17)13-20(23-19)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,23H,(H2,22,24).
What are the key properties of 2-(3-phenylphenyl)-1H-indole-4-carboxamide?
2-(3-phenylphenyl)-1H-indole-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 22014873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).