ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate

C11H11FN2O5 — CID 78953187

IUPACethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H11FN2O5/c1-2-19-10(15)6-13-11(16)7-3-8(12)5-9(4-7)14(17)18/h3-5H,2,6H2,1H3,(H,13,16)
InChIKeyNIMZXCVOLRONKT-UHFFFAOYSA-N
MW270.22 g/mol
LogP1.03
Rot. Bonds5

About ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate

ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate (PubChem CID 78953187) has the molecular formula C11H11FN2O5 and a molecular weight of 270.22 g/mol. Its IUPAC name is ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate
PubChem CID78953187
Molecular FormulaC11H11FN2O5
Molecular Weight270.22 g/mol
Exact Mass270.07
IUPAC Nameethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H11FN2O5/c1-2-19-10(15)6-13-11(16)7-3-8(12)5-9(4-7)14(17)18/h3-5H,2,6H2,1H3,(H,13,16)
InChIKeyNIMZXCVOLRONKT-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'}

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Related Compounds

ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate
CID 62680737
ethyl 3-nitro-5-(2,2,2-trifluoroethylcarbamoyl)benzoate
CID 43008403
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate
CID 63186625
3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-5-nitrobenzamide
CID 103899509
3-fluoro-N-[3-(methylamino)propyl]-5-nitrobenzamide
CID 81471141
3-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
CID 81448854
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
3-fluoro-N-(5-hydroxypentyl)-5-nitrobenzamide
CID 107318892
3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide
CID 78953205
ethyl 4-[(3-chloro-5-nitrobenzoyl)amino]butanoate
CID 78993945
(2R)-2-[(3-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 81454210
N-(4-chloro-2-methylbutyl)-3-fluoro-5-nitrobenzamide
CID 113273671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate (CID 78953187) is ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate?
The InChIKey is NIMZXCVOLRONKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O5/c1-2-19-10(15)6-13-11(16)7-3-8(12)5-9(4-7)14(17)18/h3-5H,2,6H2,1H3,(H,13,16).
What are the key properties of ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate?
ethyl 2-[(3-fluoro-5-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-5-nitrobenzoyl)amino]acetate is sourced from PubChem (CID 78953187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).