4-[4-(phenylcarbamoyl)benzoyl]benzoic acid

C21H15NO4 — CID 10315543

IUPAC4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H15NO4/c23-19(15-8-12-17(13-9-15)21(25)26)14-6-10-16(11-7-14)20(24)22-18-4-2-1-3-5-18/h1-13H,(H,22,24)(H,25,26)
InChIKeyPYVCLXJBOSYCJH-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.87
Rot. Bonds5

About 4-[4-(phenylcarbamoyl)benzoyl]benzoic acid

4-[4-(phenylcarbamoyl)benzoyl]benzoic acid (PubChem CID 10315543) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-[4-(phenylcarbamoyl)benzoyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
PubChem CID10315543
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H15NO4/c23-19(15-8-12-17(13-9-15)21(25)26)14-6-10-16(11-7-14)20(24)22-18-4-2-1-3-5-18/h1-13H,(H,22,24)(H,25,26)
InChIKeyPYVCLXJBOSYCJH-UHFFFAOYSA-N
XLogP3.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
molecular hydrogen;N-phenylbenzamide
CID 145238042
4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
CID 86231405
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
4-(phenylcarbamoyl)benzoate
CID 158012761
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
CID 18949256
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
4-anilinooxy-N-(4-benzoylphenyl)benzamide
CID 143832417
1-(phenylcarbamoyl)-4-(sulfinoamino)benzene
CID 19977257
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560

Frequently Asked Questions

What is the IUPAC name of 4-[4-(phenylcarbamoyl)benzoyl]benzoic acid?
The IUPAC name of 4-[4-(phenylcarbamoyl)benzoyl]benzoic acid (CID 10315543) is 4-[4-(phenylcarbamoyl)benzoyl]benzoic acid.
What is the SMILES notation for 4-[4-(phenylcarbamoyl)benzoyl]benzoic acid?
The canonical SMILES for 4-[4-(phenylcarbamoyl)benzoyl]benzoic acid is O=C(O)c1ccc(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(phenylcarbamoyl)benzoyl]benzoic acid?
The InChIKey is PYVCLXJBOSYCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c23-19(15-8-12-17(13-9-15)21(25)26)14-6-10-16(11-7-14)20(24)22-18-4-2-1-3-5-18/h1-13H,(H,22,24)(H,25,26).
What are the key properties of 4-[4-(phenylcarbamoyl)benzoyl]benzoic acid?
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid has a molecular weight of 345.35 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-[4-(phenylcarbamoyl)benzoyl]benzoic acid is sourced from PubChem (CID 10315543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).