4-[(N-phenylanilino)carbamoyl]benzoic acid

C20H16N2O3 — CID 154425336

IUPAC4-[(N-phenylanilino)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3/c23-19(15-11-13-16(14-12-15)20(24)25)21-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H,21,23)(H,24,25)
InChIKeyGURAKRDPDWIZES-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.87
Rot. Bonds5

About 4-[(N-phenylanilino)carbamoyl]benzoic acid

4-[(N-phenylanilino)carbamoyl]benzoic acid (PubChem CID 154425336) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[(N-phenylanilino)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(N-phenylanilino)carbamoyl]benzoic acid
PubChem CID154425336
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name4-[(N-phenylanilino)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3/c23-19(15-11-13-16(14-12-15)20(24)25)21-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H,21,23)(H,24,25)
InChIKeyGURAKRDPDWIZES-UHFFFAOYSA-N
XLogP3.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-anilinophenyl)-N'-phenylbenzohydrazide
CID 21276074
N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide
CID 7760850
tert-butyl N-[4-[(N-phenylanilino)carbamoyl]phenyl]carbamate
CID 18283150
N',N'-dibenzamidobenzohydrazide
CID 91211036
4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide
CID 9479496
Lithium benzoate, 99%
CID 57451198
N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide
CID 51537446
mercury;(N-phenylanilino)urea
CID 175145706
1-hydroxy-3-(N-phenylanilino)urea
CID 23526175
terephthalic acid
CID 160582437
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
4-(N-acetylanilino)benzoic acid
CID 138332806

Frequently Asked Questions

What is the IUPAC name of 4-[(N-phenylanilino)carbamoyl]benzoic acid?
The IUPAC name of 4-[(N-phenylanilino)carbamoyl]benzoic acid (CID 154425336) is 4-[(N-phenylanilino)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(N-phenylanilino)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(N-phenylanilino)carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(N-phenylanilino)carbamoyl]benzoic acid?
The InChIKey is GURAKRDPDWIZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-19(15-11-13-16(14-12-15)20(24)25)21-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H,21,23)(H,24,25).
What are the key properties of 4-[(N-phenylanilino)carbamoyl]benzoic acid?
4-[(N-phenylanilino)carbamoyl]benzoic acid has a molecular weight of 332.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-phenylanilino)carbamoyl]benzoic acid is sourced from PubChem (CID 154425336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).