methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate

C11H11ClFNO3 — CID 1241670

IUPACmethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFNO3/c1-17-11(16)6-14-10(15)5-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyMBDMYVCQNYEOCM-UHFFFAOYSA-N
MW259.66 g/mol
LogP1.31
Rot. Bonds4

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

methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate (PubChem CID 1241670) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
PubChem CID1241670
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Namemethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFNO3/c1-17-11(16)6-14-10(15)5-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyMBDMYVCQNYEOCM-UHFFFAOYSA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[(3-chlorophenyl)carbonylamino]acetate
CID 669189
methyl 2-[2-(2,6-dichlorophenyl)-N-methylacetamido]acetate
CID 43407394
Ethyl 2-[(2-phenylacetyl)amino]acetate
CID 239006
Glycine, N-(2-chlorobenzoyl)-, methyl ester
CID 531380
2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 1094119
Glycine, N-(phenylacetyl)-, methyl ester
CID 78914
D,L-N-(Phenylacetyl)-alanine methyl ester
CID 294582
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2547991
methyl (2S)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)propanoate
CID 166628777
2-(2-Chloro-6-fluorophenyl)-1-morpholin-4-ylethanone
CID 974102
Ethyl 2-[2-(4-chlorophenyl)acetamido]acetate
CID 1905085
2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 24936642

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate (CID 1241670) is methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate is COC(=O)CNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate?
The InChIKey is MBDMYVCQNYEOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c1-17-11(16)6-14-10(15)5-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate?
methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate has a molecular weight of 259.66 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate is sourced from PubChem (CID 1241670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).