4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid

C21H15NO5 — CID 16645441

IUPAC4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C21H15NO5/c23-19(16-11-10-14(20(24)25)12-17(16)21(26)27)22-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyBUIFAALVZAGVEN-UHFFFAOYSA-N
MW361.35 g/mol
LogP4.00
Rot. Bonds5

About 4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid

4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid (PubChem CID 16645441) has the molecular formula C21H15NO5 and a molecular weight of 361.35 g/mol. Its IUPAC name is 4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
PubChem CID16645441
Molecular FormulaC21H15NO5
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC Name4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C21H15NO5/c23-19(16-11-10-14(20(24)25)12-17(16)21(26)27)22-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyBUIFAALVZAGVEN-UHFFFAOYSA-N
XLogP4.00
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 21240166
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
2-(2-phenylphenyl)terephthalic acid
CID 67851740
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
3,5-difluoro-N-(2-phenylphenyl)benzamide
CID 4794052
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
4-(dimethylamino)-3-fluoro-N-(2-phenylphenyl)benzamide
CID 60585811
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828
2-oxo-N-(2-phenylphenyl)-1H-quinoline-4-carboxamide
CID 2540380

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid (CID 16645441) is 4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid is O=C(O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid?
The InChIKey is BUIFAALVZAGVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5/c23-19(16-11-10-14(20(24)25)12-17(16)21(26)27)22-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid?
4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid has a molecular weight of 361.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 16645441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).