[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate

C11H11F2NO4 — CID 7569623

IUPAC[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
SMILESCNC(=O)COC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H11F2NO4/c1-14-9(15)6-17-10(16)7-2-4-8(5-3-7)18-11(12)13/h2-5,11H,6H2,1H3,(H,14,15)
InChIKeyISQDEWCUDIUFFB-UHFFFAOYSA-N
MW259.21 g/mol
LogP1.19
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate

[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate (PubChem CID 7569623) has the molecular formula C11H11F2NO4 and a molecular weight of 259.21 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
PubChem CID7569623
Molecular FormulaC11H11F2NO4
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
SMILESCNC(=O)COC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H11F2NO4/c1-14-9(15)6-17-10(16)7-2-4-8(5-3-7)18-11(12)13/h2-5,11H,6H2,1H3,(H,14,15)
InChIKeyISQDEWCUDIUFFB-UHFFFAOYSA-N
XLogP1.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate 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-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
CID 2612537
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2613656
[2-(3-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612551
[2-(methylamino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 6212532
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7569481
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2551173
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 4779643
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7274917
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612442
[2-(2-cyanoanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7291022

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate (CID 7569623) is [2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate is CNC(=O)COC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The InChIKey is ISQDEWCUDIUFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO4/c1-14-9(15)6-17-10(16)7-2-4-8(5-3-7)18-11(12)13/h2-5,11H,6H2,1H3,(H,14,15).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate?
[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate has a molecular weight of 259.21 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 7569623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).