2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid

C9H7BrF2N2O4 — CID 102854417

IUPAC2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid
SMILESO=C(O)CONC(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C9H7BrF2N2O4/c10-4-1-7(6(12)2-5(4)11)13-9(17)14-18-3-8(15)16/h1-2H,3H2,(H,15,16)(H2,13,14,17)
InChIKeyIHJILOYTGSVTCN-UHFFFAOYSA-N
MW325.07 g/mol
LogP1.87
Rot. Bonds4

About 2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid

2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid (PubChem CID 102854417) has the molecular formula C9H7BrF2N2O4 and a molecular weight of 325.07 g/mol. Its IUPAC name is 2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid
PubChem CID102854417
Molecular FormulaC9H7BrF2N2O4
Molecular Weight325.07 g/mol
Exact Mass323.96
IUPAC Name2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid
SMILESO=C(O)CONC(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C9H7BrF2N2O4/c10-4-1-7(6(12)2-5(4)11)13-9(17)14-18-3-8(15)16/h1-2H,3H2,(H,15,16)(H2,13,14,17)
InChIKeyIHJILOYTGSVTCN-UHFFFAOYSA-N
XLogP1.87
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.07
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-bromo-2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 102854362
(2R)-2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]butanedioic acid
CID 102854450
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
2-(5-bromo-2,4-difluoroanilino)-2-oxoacetic acid
CID 102854660
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 102854365
2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide
CID 113351033
3-[(4-bromo-2,5-difluorophenyl)carbamoylamino]propanoic acid
CID 107614346
4-[(5-bromo-2,4-difluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107841425
3-(5-bromo-2,4-difluoroanilino)propanoic acid
CID 102853464
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]pentanoic acid
CID 102854406
1-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854347
2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide
CID 102853712

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid?
The IUPAC name of 2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid (CID 102854417) is 2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid.
What is the SMILES notation for 2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid?
The canonical SMILES for 2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid is O=C(O)CONC(=O)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid?
The InChIKey is IHJILOYTGSVTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O4/c10-4-1-7(6(12)2-5(4)11)13-9(17)14-18-3-8(15)16/h1-2H,3H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid?
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid has a molecular weight of 325.07 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid is sourced from PubChem (CID 102854417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).