methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate

C11H11ClFNO3 — CID 80979404

IUPACmethyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFNO3/c1-14(6-9(15)17-2)11(16)7-4-3-5-8(12)10(7)13/h3-5H,6H2,1-2H3
InChIKeyVJSQBONCDXYVMA-UHFFFAOYSA-N
MW259.66 g/mol
LogP1.72
Rot. Bonds3

About methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate

methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate (PubChem CID 80979404) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate
PubChem CID80979404
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Namemethyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFNO3/c1-14(6-9(15)17-2)11(16)7-4-3-5-8(12)10(7)13/h3-5H,6H2,1-2H3
InChIKeyVJSQBONCDXYVMA-UHFFFAOYSA-N
XLogP1.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate
CID 103994339
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
3-chloro-2-fluoro-N,N-dimethylbenzamide
CID 80979607
methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 43408243
methyl 3-[(3-chloro-2-fluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 80999485
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
methyl 2-[(2-chloro-4-methylbenzoyl)-methylamino]acetate
CID 106509702
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 107206107
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 81265606
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate (CID 80979404) is methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1cccc(Cl)c1F.
What is the InChIKey of methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate?
The InChIKey is VJSQBONCDXYVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c1-14(6-9(15)17-2)11(16)7-4-3-5-8(12)10(7)13/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate?
methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate has a molecular weight of 259.66 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate is sourced from PubChem (CID 80979404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).