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

C9H7F3N2O3 — CID 22115807

IUPAC2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)Cc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)7-4-6(14(16)17)2-1-5(7)3-8(13)15/h1-2,4H,3H2,(H2,13,15)
InChIKeyRNOUVMGZFGHZJY-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.64
Rot. Bonds3

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

2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 22115807) has the molecular formula C9H7F3N2O3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID22115807
Molecular FormulaC9H7F3N2O3
Molecular Weight248.16 g/mol
Exact Mass248.04
IUPAC Name2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)Cc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)7-4-6(14(16)17)2-1-5(7)3-8(13)15/h1-2,4H,3H2,(H2,13,15)
InChIKeyRNOUVMGZFGHZJY-UHFFFAOYSA-N
XLogP1.64
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1,2-Benzenedicarboxamide, 4-nitro-
CID 83167
2-(4-Nitrophenyl)acetohydrazide
CID 287331
Propionamide, 2-(p-nitrophenyl)-2-phenyl-
CID 3046179
2-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2090018
3-(4-Nitrophenyl)propanamide
CID 13596073
2-(2-Nitrophenyl)acetamide
CID 278262
2-Methyl-3-nitrobenzamide
CID 3830592
4-Nitro-2-(trifluoromethyl)benzaldehyde
CID 12391105
1-(4-Nitro-2-(trifluoromethyl)phenyl)ethanone
CID 56972244
(alphaS)-alpha-Amino-4-nitrobenzenepropanamide
CID 11009163
2-p-Tolylthiazolo[5,4-b]pyridine
CID 10828879
4-Fluoro-3-nitrobenzamide
CID 21884184

Frequently Asked Questions

What is the IUPAC name of 2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide (CID 22115807) is 2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide is NC(=O)Cc1ccc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RNOUVMGZFGHZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O3/c10-9(11,12)7-4-6(14(16)17)2-1-5(7)3-8(13)15/h1-2,4H,3H2,(H2,13,15).
What are the key properties of 2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 248.16 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-nitro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22115807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).