3-[(4-phenoxybenzoyl)amino]benzoic acid

C20H15NO4 — CID 891531

IUPAC3-[(4-phenoxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H15NO4/c22-19(21-16-6-4-5-15(13-16)20(23)24)14-9-11-18(12-10-14)25-17-7-2-1-3-8-17/h1-13H,(H,21,22)(H,23,24)
InChIKeyYJZKPXQCASVSAI-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.43
Rot. Bonds5

About 3-[(4-phenoxybenzoyl)amino]benzoic acid

3-[(4-phenoxybenzoyl)amino]benzoic acid (PubChem CID 891531) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 3-[(4-phenoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(4-phenoxybenzoyl)amino]benzoic acid
PubChem CID891531
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name3-[(4-phenoxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H15NO4/c22-19(21-16-6-4-5-15(13-16)20(23)24)14-9-11-18(12-10-14)25-17-7-2-1-3-8-17/h1-13H,(H,21,22)(H,23,24)
InChIKeyYJZKPXQCASVSAI-UHFFFAOYSA-N
XLogP4.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Acetaminosalol
CID 1984
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
VU0357121
CID 2296132
2-((4-Phenoxyanilino)carbonyl)benzoic acid
CID 736198
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
Ica-105574
CID 715924
2-(4-Methoxybenzamido)benzoic acid
CID 721421
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
3-[(5-Acetyl-2-Ethoxyphenyl)carbamoyl]benzoic Acid
CID 91808023
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1034712
(2-Benzamidophenyl) benzoate
CID 226518
3-[(4-Methoxybenzoyl)amino]benzoic acid
CID 584683

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenoxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(4-phenoxybenzoyl)amino]benzoic acid (CID 891531) is 3-[(4-phenoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(4-phenoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(4-phenoxybenzoyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 3-[(4-phenoxybenzoyl)amino]benzoic acid?
The InChIKey is YJZKPXQCASVSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-19(21-16-6-4-5-15(13-16)20(23)24)14-9-11-18(12-10-14)25-17-7-2-1-3-8-17/h1-13H,(H,21,22)(H,23,24).
What are the key properties of 3-[(4-phenoxybenzoyl)amino]benzoic acid?
3-[(4-phenoxybenzoyl)amino]benzoic acid has a molecular weight of 333.34 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 891531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).