3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid

C15H12FNO4 — CID 175287376

IUPAC3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)N(O)Cc2ccccc2F)c1
InChIInChI=1S/C15H12FNO4/c16-13-7-2-1-4-12(13)9-17(21)14(18)10-5-3-6-11(8-10)15(19)20/h1-8,21H,9H2,(H,19,20)
InChIKeyXLNCLFSJZMMJRO-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.56
Rot. Bonds4

About 3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid

3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid (PubChem CID 175287376) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid
PubChem CID175287376
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)N(O)Cc2ccccc2F)c1
InChIInChI=1S/C15H12FNO4/c16-13-7-2-1-4-12(13)9-17(21)14(18)10-5-3-6-11(8-10)15(19)20/h1-8,21H,9H2,(H,19,20)
InChIKeyXLNCLFSJZMMJRO-UHFFFAOYSA-N
XLogP2.56
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[(2-fluorophenyl)methyl-[(2S)-1-methoxypropan-2-yl]carbamoyl]benzoic acid
CID 126435798
3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid
CID 175287357
3-[(2-fluorophenyl)methyl]benzoic acid
CID 86242879
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 39359993
3-[[2-[(2-fluorophenyl)methyl-formylamino]acetyl]amino]benzoic acid
CID 134293862
3-bromo-4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 82801528
3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054502
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylmethoxybenzamide
CID 30253357
CID 139146863
CID 139146863
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid?
The IUPAC name of 3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid (CID 175287376) is 3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid?
The canonical SMILES for 3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid is O=C(O)c1cccc(C(=O)N(O)Cc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid?
The InChIKey is XLNCLFSJZMMJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-13-7-2-1-4-12(13)9-17(21)14(18)10-5-3-6-11(8-10)15(19)20/h1-8,21H,9H2,(H,19,20).
What are the key properties of 3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid?
3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid is sourced from PubChem (CID 175287376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).