2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid

C21H15NO5 — CID 1365358

IUPAC2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C21H15NO5/c23-19(22-18-12-6-5-11-17(18)21(26)27)15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(24)25/h1-12H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyRJNABYKZHUONME-UHFFFAOYSA-N
MW361.35 g/mol
LogP4.00
Rot. Bonds5

About 2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid

2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 1365358) has the molecular formula C21H15NO5 and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid
PubChem CID1365358
Molecular FormulaC21H15NO5
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC Name2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C21H15NO5/c23-19(22-18-12-6-5-11-17(18)21(26)27)15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(24)25/h1-12H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyRJNABYKZHUONME-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid (CID 1365358) is 2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid is O=C(O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is RJNABYKZHUONME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5/c23-19(22-18-12-6-5-11-17(18)21(26)27)15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(24)25/h1-12H,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid?
2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic 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 2-[2-[(2-carboxyphenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 1365358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).