4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid

C15H11NO5 — CID 21240166

IUPAC4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H11NO5/c17-13(16-10-4-2-1-3-5-10)11-7-6-9(14(18)19)8-12(11)15(20)21/h1-8H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyJYLOTOLEARJDSE-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.34
Rot. Bonds4

About 4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid

4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid (PubChem CID 21240166) has the molecular formula C15H11NO5 and a molecular weight of 285.25 g/mol. Its IUPAC name is 4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
PubChem CID21240166
Molecular FormulaC15H11NO5
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H11NO5/c17-13(16-10-4-2-1-3-5-10)11-7-6-9(14(18)19)8-12(11)15(20)21/h1-8H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyJYLOTOLEARJDSE-UHFFFAOYSA-N
XLogP2.34
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
6-(phenylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 54546942
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828
4-[(3,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 15943706
2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid
CID 59023663
4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 16645441
4-[[3-[2-(4-carboxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18896534
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
[2,5-bis(phenylcarbamoyl)phenyl]boronic acid
CID 68783755
4-[[3-[2-(3-carboxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18896679
4-[[4-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 58874542
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833

Frequently Asked Questions

What is the IUPAC name of 4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid (CID 21240166) is 4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid is O=C(O)c1ccc(C(=O)Nc2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid?
The InChIKey is JYLOTOLEARJDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c17-13(16-10-4-2-1-3-5-10)11-7-6-9(14(18)19)8-12(11)15(20)21/h1-8H,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid?
4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 21240166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).