methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate

C11H11ClFNO3 — CID 43408243

IUPACmethyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFNO3/c1-14(6-10(15)17-2)11(16)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3
InChIKeyUQTRHWVDEWGLKQ-UHFFFAOYSA-N
MW259.66 g/mol
LogP1.72
Rot. Bonds3

About methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate

methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate (PubChem CID 43408243) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
PubChem CID43408243
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Namemethyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFNO3/c1-14(6-10(15)17-2)11(16)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3
InChIKeyUQTRHWVDEWGLKQ-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

4-chloro-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328813
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
methyl 2-[(2-chloro-4-methylbenzoyl)-methylamino]acetate
CID 106509702
methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate
CID 43422761
methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 80979404
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79290471
ethyl 2-[(2-fluoro-4-hydroxybenzoyl)-methylamino]acetate
CID 113355630
methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate
CID 43377543
methyl 4-(4-chloro-2-fluorophenyl)-4-oxobutanoate
CID 114859571
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
methyl 2-[(3-bromo-4-fluorobenzoyl)-methylamino]acetate
CID 103706657

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate (CID 43408243) is methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate?
The InChIKey is UQTRHWVDEWGLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c1-14(6-10(15)17-2)11(16)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate?
methyl 2-[(4-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-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate is sourced from PubChem (CID 43408243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).