2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide

C10H6F3N3O3 — CID 83342973

IUPAC2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)7-5-6(16(18)19)1-2-8(7)15-9(17)3-4-14/h1-2,5H,3H2,(H,15,17)
InChIKeyOTYDUKOXFSKFFN-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.47
Rot. Bonds3

About 2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide

2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 83342973) has the molecular formula C10H6F3N3O3 and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID83342973
Molecular FormulaC10H6F3N3O3
Molecular Weight273.17 g/mol
Exact Mass273.04
IUPAC Name2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)7-5-6(16(18)19)1-2-8(7)15-9(17)3-4-14/h1-2,5H,3H2,(H,15,17)
InChIKeyOTYDUKOXFSKFFN-UHFFFAOYSA-N
XLogP2.47
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide
CID 91681073
N-[4-nitro-2-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide
CID 7821087
[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] propanoate
CID 7851443
2-cyano-N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
CID 168520063
[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] butanoate
CID 7796971
(2R)-2-chloro-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 7063301
2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
CID 141401924
2-bromo-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 114014303
trans-[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8004847
2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 54935573
[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588581

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide (CID 83342973) is 2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide is N#CCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OTYDUKOXFSKFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O3/c11-10(12,13)7-5-6(16(18)19)1-2-8(7)15-9(17)3-4-14/h1-2,5H,3H2,(H,15,17).
What are the key properties of 2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 273.17 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 83342973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).