methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate

C10H9ClFNO3 — CID 43423009

IUPACmethyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C10H9ClFNO3/c1-16-8(14)5-13-10(15)9-6(11)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyHGFSJKVHZLZLDS-UHFFFAOYSA-N
MW245.64 g/mol
LogP1.38
Rot. Bonds3

About methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate

methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate (PubChem CID 43423009) has the molecular formula C10H9ClFNO3 and a molecular weight of 245.64 g/mol. Its IUPAC name is methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
PubChem CID43423009
Molecular FormulaC10H9ClFNO3
Molecular Weight245.64 g/mol
Exact Mass245.03
IUPAC Namemethyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C10H9ClFNO3/c1-16-8(14)5-13-10(15)9-6(11)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyHGFSJKVHZLZLDS-UHFFFAOYSA-N
XLogP1.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2-chloro-6-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

2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 36949186
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
3-[(2-chloro-6-fluorobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367390
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979
3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172745

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate (CID 43423009) is methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate is COC(=O)CNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate?
The InChIKey is HGFSJKVHZLZLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3/c1-16-8(14)5-13-10(15)9-6(11)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate?
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate has a molecular weight of 245.64 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 43423009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).