2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide

C9H5F2N3O3 — CID 83298314

IUPAC2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
SMILESN#CCC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H5F2N3O3/c10-5-3-6(11)9(7(4-5)14(16)17)13-8(15)1-2-12/h3-4H,1H2,(H,13,15)
InChIKeyFZTJFOLBRGIMJI-UHFFFAOYSA-N
MW241.15 g/mol
LogP1.73
Rot. Bonds3

About 2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide

2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide (PubChem CID 83298314) has the molecular formula C9H5F2N3O3 and a molecular weight of 241.15 g/mol. Its IUPAC name is 2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
PubChem CID83298314
Molecular FormulaC9H5F2N3O3
Molecular Weight241.15 g/mol
Exact Mass241.03
IUPAC Name2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
SMILESN#CCC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H5F2N3O3/c10-5-3-6(11)9(7(4-5)14(16)17)13-8(15)1-2-12/h3-4H,1H2,(H,13,15)
InChIKeyFZTJFOLBRGIMJI-UHFFFAOYSA-N
XLogP1.73
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.15
LogP ≤ 51.73
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-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 81310994
2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide
CID 168523564
N-(4-bromo-2,3-difluoro-6-nitrophenyl)-2-cyanoacetamide
CID 168522473
4-[(2-cyanoacetyl)amino]-2,3-difluoro-5-nitrobenzoic acid
CID 168520158
2-cyano-N-(2,4-dichloro-6-nitrophenyl)acetamide
CID 168520258
N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide
CID 81310098
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
methyl 5-bromo-2-[(2-cyanoacetyl)amino]-6-fluoro-3-nitrobenzoate
CID 168523695
N-(2,4-difluoro-6-nitrophenyl)-4-(propan-2-ylamino)butanamide
CID 81307714
2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
CID 168521532
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
CID 81312067
2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309738

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide (CID 83298314) is 2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide is N#CCC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide?
The InChIKey is FZTJFOLBRGIMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3O3/c10-5-3-6(11)9(7(4-5)14(16)17)13-8(15)1-2-12/h3-4H,1H2,(H,13,15).
What are the key properties of 2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide?
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide has a molecular weight of 241.15 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide is sourced from PubChem (CID 83298314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).