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

C21H16N2O — CID 17447542

IUPACN-(4-phenylphenyl)-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H16N2O/c24-21(19-14-22-20-9-5-4-8-18(19)20)23-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14,22H,(H,23,24)
InChIKeyPOXXBRKQDBBSGD-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.09
Rot. Bonds3

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

N-(4-phenylphenyl)-1H-indole-3-carboxamide (PubChem CID 17447542) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-phenylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylphenyl)-1H-indole-3-carboxamide
PubChem CID17447542
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC NameN-(4-phenylphenyl)-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H16N2O/c24-21(19-14-22-20-9-5-4-8-18(19)20)23-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14,22H,(H,23,24)
InChIKeyPOXXBRKQDBBSGD-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

N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
N-(4-ethylphenyl)-1H-indole-3-carboxamide;molecular hydrogen
CID 159635618
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate
CID 39964134
N-(6-fluoro-3-pyridinyl)-1H-indole-3-carboxamide
CID 103789953
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
N-(2-hydroxyphenyl)-1H-indole-3-carboxamide
CID 57210773
N-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-3-carboxamide
CID 90023479
4-(1H-indol-3-yl)-N-phenylbenzamide
CID 146637660
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(4-phenylphenyl)-1H-indole-3-carboxamide (CID 17447542) is N-(4-phenylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-phenylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-phenylphenyl)-1H-indole-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-(4-phenylphenyl)-1H-indole-3-carboxamide?
The InChIKey is POXXBRKQDBBSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-21(19-14-22-20-9-5-4-8-18(19)20)23-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14,22H,(H,23,24).
What are the key properties of N-(4-phenylphenyl)-1H-indole-3-carboxamide?
N-(4-phenylphenyl)-1H-indole-3-carboxamide 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 N-(4-phenylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 17447542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).