ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate

C12H14FNO4 — CID 87037221

IUPACethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H14FNO4/c1-3-18-11(15)7-14-12(16)9-5-4-8(17-2)6-10(9)13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyGPDQHSZVKUCHQK-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.13
Rot. Bonds5

About ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate

ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate (PubChem CID 87037221) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
PubChem CID87037221
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H14FNO4/c1-3-18-11(15)7-14-12(16)9-5-4-8(17-2)6-10(9)13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyGPDQHSZVKUCHQK-UHFFFAOYSA-N
XLogP1.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30312687
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate (CID 87037221) is ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc(OC)cc1F.
What is the InChIKey of ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate?
The InChIKey is GPDQHSZVKUCHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-3-18-11(15)7-14-12(16)9-5-4-8(17-2)6-10(9)13/h4-6H,3,7H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate?
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate has a molecular weight of 255.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 87037221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).