methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate

C13H14FNO5 — CID 62953294

IUPACmethyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccccc1F
InChIInChI=1S/C13H14FNO5/c1-19-11(16)7-15(8-12(17)20-2)13(18)9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3
InChIKeyYDOMYRLPCZGSAQ-UHFFFAOYSA-N
MW283.26 g/mol
LogP0.61
Rot. Bonds5

About methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62953294) has the molecular formula C13H14FNO5 and a molecular weight of 283.26 g/mol. Its IUPAC name is methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62953294
Molecular FormulaC13H14FNO5
Molecular Weight283.26 g/mol
Exact Mass283.09
IUPAC Namemethyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccccc1F
InChIInChI=1S/C13H14FNO5/c1-19-11(16)7-15(8-12(17)20-2)13(18)9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3
InChIKeyYDOMYRLPCZGSAQ-UHFFFAOYSA-N
XLogP0.61
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)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

methyl 2-[(5-fluoro-2-methylbenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63047935
3-[carboxymethyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324752
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
2-fluoro-N-(2-fluorobenzoyl)-N-(2-methylprop-2-enyl)benzamide
CID 91711960
methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580629
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61046623
N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate
CID 55005808
methyl 2-[ethyl-[2-(2-fluorophenoxy)acetyl]amino]acetate
CID 54979366
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate
CID 60620709

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 62953294) is methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1ccccc1F.
What is the InChIKey of methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is YDOMYRLPCZGSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5/c1-19-11(16)7-15(8-12(17)20-2)13(18)9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 283.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62953294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).