2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid

C9H7BrFNO4 — CID 63929905

IUPAC2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H7BrFNO4/c10-6-1-5(2-7(11)3-6)9(15)12-16-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyLKJPYHPYXBPPNQ-UHFFFAOYSA-N
MW292.06 g/mol
LogP1.33
Rot. Bonds4

About 2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid

2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid (PubChem CID 63929905) has the molecular formula C9H7BrFNO4 and a molecular weight of 292.06 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid
PubChem CID63929905
Molecular FormulaC9H7BrFNO4
Molecular Weight292.06 g/mol
Exact Mass290.95
IUPAC Name2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H7BrFNO4/c10-6-1-5(2-7(11)3-6)9(15)12-16-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyLKJPYHPYXBPPNQ-UHFFFAOYSA-N
XLogP1.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.06
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide
CID 115409989
2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid
CID 104785595
2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid
CID 65101242
3-bromo-N-cyclopentyloxy-5-fluorobenzamide
CID 83202919
2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid
CID 166286482
2-[(2,6-dichloropyridine-4-carbonyl)amino]oxyacetic acid
CID 103603441
3-bromo-N-(3-carbamothioylpentan-3-yl)-5-fluorobenzamide
CID 61121402
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-fluorobenzamide
CID 114008312
2-[2-[(3-bromo-5-fluorobenzoyl)amino]ethylsulfanyl]acetic acid
CID 119242061
(2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid
CID 107829702
3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide
CID 78877450

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid (CID 63929905) is 2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid is O=C(O)CONC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid?
The InChIKey is LKJPYHPYXBPPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO4/c10-6-1-5(2-7(11)3-6)9(15)12-16-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14).
What are the key properties of 2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid?
2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid has a molecular weight of 292.06 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid is sourced from PubChem (CID 63929905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).