2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid

C22H16N2O6 — CID 71595353

IUPAC2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(NC(=O)c1ccccc1O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H16N2O6/c25-18-8-4-3-7-17(18)21(28)24-19(26)13-9-11-14(12-10-13)23-20(27)15-5-1-2-6-16(15)22(29)30/h1-12,25H,(H,23,27)(H,29,30)(H,24,26,28)
InChIKeyJYXVRQALNPEGTP-UHFFFAOYSA-N
MW404.38 g/mol
LogP2.91
Rot. Bonds5

About 2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid

2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid (PubChem CID 71595353) has the molecular formula C22H16N2O6 and a molecular weight of 404.38 g/mol. Its IUPAC name is 2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid
PubChem CID71595353
Molecular FormulaC22H16N2O6
Molecular Weight404.38 g/mol
Exact Mass404.10
IUPAC Name2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(NC(=O)c1ccccc1O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H16N2O6/c25-18-8-4-3-7-17(18)21(28)24-19(26)13-9-11-14(12-10-13)23-20(27)15-5-1-2-6-16(15)22(29)30/h1-12,25H,(H,23,27)(H,29,30)(H,24,26,28)
InChIKeyJYXVRQALNPEGTP-UHFFFAOYSA-N
XLogP2.91
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 71595352
2-hydroxy-N-phenylbenzamide
CID 157209959
2-hydroxy-N-(4-phenylbenzoyl)benzamide
CID 57385750
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218704
2-hydroxy-N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 42578583
methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate
CID 57385260
2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17195127
2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218177
2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid
CID 680540

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid (CID 71595353) is 2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid is O=C(NC(=O)c1ccccc1O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is JYXVRQALNPEGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O6/c25-18-8-4-3-7-17(18)21(28)24-19(26)13-9-11-14(12-10-13)23-20(27)15-5-1-2-6-16(15)22(29)30/h1-12,25H,(H,23,27)(H,29,30)(H,24,26,28).
What are the key properties of 2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 404.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 71595353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).