2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid

C9H7BrClNO4 — CID 86120715

IUPAC2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1c(Cl)cccc1Br
InChIInChI=1S/C9H7BrClNO4/c10-5-2-1-3-6(11)8(5)9(15)12-16-4-7(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyVBGDMQUBKVSUSI-UHFFFAOYSA-N
MW308.52 g/mol
LogP1.85
Rot. Bonds4

About 2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid

2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid (PubChem CID 86120715) has the molecular formula C9H7BrClNO4 and a molecular weight of 308.52 g/mol. Its IUPAC name is 2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid
PubChem CID86120715
Molecular FormulaC9H7BrClNO4
Molecular Weight308.52 g/mol
Exact Mass306.92
IUPAC Name2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1c(Cl)cccc1Br
InChIInChI=1S/C9H7BrClNO4/c10-5-2-1-3-6(11)8(5)9(15)12-16-4-7(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyVBGDMQUBKVSUSI-UHFFFAOYSA-N
XLogP1.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 51.85
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

2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid
CID 14097342
2-amino-1-(2-bromo-6-chlorophenyl)ethanone
CID 84706659
2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid
CID 107627485
2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid
CID 107981467
2-chloro-6-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340114
2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid
CID 114343359
3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 113364345
[2-(2-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2396477
2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid
CID 54547211
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668138
2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
CID 86296545
2-[(4-chloroquinoline-2-carbonyl)amino]oxyacetic acid
CID 63914484

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid (CID 86120715) is 2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid is O=C(O)CONC(=O)c1c(Cl)cccc1Br.
What is the InChIKey of 2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid?
The InChIKey is VBGDMQUBKVSUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO4/c10-5-2-1-3-6(11)8(5)9(15)12-16-4-7(13)14/h1-3H,4H2,(H,12,15)(H,13,14).
What are the key properties of 2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid?
2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid has a molecular weight of 308.52 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid is sourced from PubChem (CID 86120715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).