methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate

C10H9BrFNO3 — CID 47421773

IUPACmethyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H9BrFNO3/c1-16-9(14)5-13-10(15)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,15)
InChIKeyGAWGLNVGEUAUBW-UHFFFAOYSA-N
MW290.09 g/mol
LogP1.49
Rot. Bonds3

About methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate

methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate (PubChem CID 47421773) has the molecular formula C10H9BrFNO3 and a molecular weight of 290.09 g/mol. Its IUPAC name is methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
PubChem CID47421773
Molecular FormulaC10H9BrFNO3
Molecular Weight290.09 g/mol
Exact Mass288.97
IUPAC Namemethyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H9BrFNO3/c1-16-9(14)5-13-10(15)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,15)
InChIKeyGAWGLNVGEUAUBW-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate 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

4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
CID 80954153
4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide
CID 113228456
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
methyl 2-[[4-[(2-bromo-5-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 46611840
4-bromo-N-(2,2-diethoxyethyl)-3-fluorobenzamide
CID 79547974
4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687414
4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 47421954
methyl 2-[(4-bromo-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55133439
4-[(4-bromo-3-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001744
methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
CID 60596590

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate (CID 47421773) is methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate is COC(=O)CNC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate?
The InChIKey is GAWGLNVGEUAUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO3/c1-16-9(14)5-13-10(15)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate?
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate has a molecular weight of 290.09 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 47421773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).