4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid

C15H12N2O5 — CID 86231405

IUPAC4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C15H12N2O5/c18-13(9-1-3-11(4-2-9)15(20)21)16-12-7-5-10(6-8-12)14(19)17-22/h1-8,22H,(H,16,18)(H,17,19)(H,20,21)
InChIKeyHEVZWFKLNOLNTL-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.76
Rot. Bonds4

About 4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid

4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid (PubChem CID 86231405) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
PubChem CID86231405
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C15H12N2O5/c18-13(9-1-3-11(4-2-9)15(20)21)16-12-7-5-10(6-8-12)14(19)17-22/h1-8,22H,(H,16,18)(H,17,19)(H,20,21)
InChIKeyHEVZWFKLNOLNTL-UHFFFAOYSA-N
XLogP1.76
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid
CID 102014802
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
4-[[4-(chloromethyl)benzoyl]amino]benzoic acid
CID 61251560
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
CID 155124786
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
CID 102503336

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid (CID 86231405) is 4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is HEVZWFKLNOLNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-13(9-1-3-11(4-2-9)15(20)21)16-12-7-5-10(6-8-12)14(19)17-22/h1-8,22H,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid?
4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 300.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 86231405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).