ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate

C11H11FN2O5 — CID 62680737

IUPACethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C11H11FN2O5/c1-2-19-10(15)6-13-11(16)7-3-4-9(14(17)18)8(12)5-7/h3-5H,2,6H2,1H3,(H,13,16)
InChIKeyPTKQUDTZIBYXNB-UHFFFAOYSA-N
MW270.22 g/mol
LogP1.03
Rot. Bonds5

About ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate

ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate (PubChem CID 62680737) has the molecular formula C11H11FN2O5 and a molecular weight of 270.22 g/mol. Its IUPAC name is ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate
PubChem CID62680737
Molecular FormulaC11H11FN2O5
Molecular Weight270.22 g/mol
Exact Mass270.07
IUPAC Nameethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C11H11FN2O5/c1-2-19-10(15)6-13-11(16)7-3-4-9(14(17)18)8(12)5-7/h3-5H,2,6H2,1H3,(H,13,16)
InChIKeyPTKQUDTZIBYXNB-UHFFFAOYSA-N
XLogP1.03
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[(3-fluoro-4-nitrobenzoyl)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

2,2,2-trichloroethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate
CID 86713124
N-(3-ethylpentan-3-yl)-3-fluoro-4-nitrobenzamide
CID 65038833
N-(2,3-dihydroxy-2-methylpropyl)-3-fluoro-4-nitrobenzamide
CID 66168183
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate
CID 63186625
3-fluoro-N-[(2-methylpropan-2-yl)oxy]-4-nitrobenzamide
CID 82724797
ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate
CID 78953187
3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide
CID 55103599
N-(2-ethylsulfinylethyl)-3-fluoro-4-nitrobenzamide
CID 115627360
methyl 2-[(4-methyl-3-nitrobenzoyl)amino]acetate
CID 3422808
3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359617
3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide
CID 62681809
N-benzyl-3-fluoro-4-nitrobenzamide
CID 62682905

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate (CID 62680737) is ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate?
The InChIKey is PTKQUDTZIBYXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O5/c1-2-19-10(15)6-13-11(16)7-3-4-9(14(17)18)8(12)5-7/h3-5H,2,6H2,1H3,(H,13,16).
What are the key properties of ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate?
ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate has a molecular weight of 270.22 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate is sourced from PubChem (CID 62680737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).