N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

C15H9FN4O6 — CID 7846258

IUPACN-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H9FN4O6/c16-10-1-4-13(20(24)25)14(6-10)26-8-15(21)18-12-3-2-11(19(22)23)5-9(12)7-17/h1-6H,8H2,(H,18,21)
InChIKeyYRGUKLOOJQIHNN-UHFFFAOYSA-N
MW360.26 g/mol
LogP2.53
Rot. Bonds6

About N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 7846258) has the molecular formula C15H9FN4O6 and a molecular weight of 360.26 g/mol. Its IUPAC name is N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID7846258
Molecular FormulaC15H9FN4O6
Molecular Weight360.26 g/mol
Exact Mass360.05
IUPAC NameN-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H9FN4O6/c16-10-1-4-13(20(24)25)14(6-10)26-8-15(21)18-12-3-2-11(19(22)23)5-9(12)7-17/h1-6H,8H2,(H,18,21)
InChIKeyYRGUKLOOJQIHNN-UHFFFAOYSA-N
XLogP2.53
TPSA148.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7434030
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide
CID 17359267
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7846247
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
dimethyl 2-[[2-(5-fluoro-2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 2690933
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 4810421
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 7846258) is N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is YRGUKLOOJQIHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O6/c16-10-1-4-13(20(24)25)14(6-10)26-8-15(21)18-12-3-2-11(19(22)23)5-9(12)7-17/h1-6H,8H2,(H,18,21).
What are the key properties of N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 360.26 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 7846258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).