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

C9H8F3N3O3 — CID 54935573

IUPAC2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
SMILESNC(=O)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C9H8F3N3O3/c10-9(11,12)6-3-5(15(17)18)1-2-7(6)14-4-8(13)16/h1-3,14H,4H2,(H2,13,16)
InChIKeyIEIZPJBDBFFLIT-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.51
Rot. Bonds4

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

2-[4-nitro-2-(trifluoromethyl)anilino]acetamide (PubChem CID 54935573) has the molecular formula C9H8F3N3O3 and a molecular weight of 263.17 g/mol. Its IUPAC name is 2-[4-nitro-2-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
PubChem CID54935573
Molecular FormulaC9H8F3N3O3
Molecular Weight263.17 g/mol
Exact Mass263.05
IUPAC Name2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
SMILESNC(=O)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C9H8F3N3O3/c10-9(11,12)6-3-5(15(17)18)1-2-7(6)14-4-8(13)16/h1-3,14H,4H2,(H2,13,16)
InChIKeyIEIZPJBDBFFLIT-UHFFFAOYSA-N
XLogP1.51
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.51
H-Bond Donors ≤ 52
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-[4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 2914060
4-nitro-2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 63227270
2-[4-nitro-2-(trifluoromethyl)anilino]propanamide
CID 54935716
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 47072285
N'-[4-nitro-2-(trifluoromethyl)phenyl]-N-phenylethane-1,2-diamine
CID 166210430
N-[4-nitro-2-(trifluoromethyl)phenyl]-N'-propan-2-ylethane-1,2-diamine
CID 62665379
N-(2-methylsulfonylethyl)-4-nitro-2-(trifluoromethyl)aniline
CID 60925778
2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 83342973
2-[4-nitro-2-(trifluoromethyl)anilino]-1-phenylethanol
CID 47051887
N-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethanesulfonamide
CID 106337802
N-(3,3-dimethylbutan-2-yl)-4-nitro-2-(trifluoromethyl)aniline
CID 104828660

Frequently Asked Questions

What is the IUPAC name of 2-[4-nitro-2-(trifluoromethyl)anilino]acetamide?
The IUPAC name of 2-[4-nitro-2-(trifluoromethyl)anilino]acetamide (CID 54935573) is 2-[4-nitro-2-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for 2-[4-nitro-2-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for 2-[4-nitro-2-(trifluoromethyl)anilino]acetamide is NC(=O)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 2-[4-nitro-2-(trifluoromethyl)anilino]acetamide?
The InChIKey is IEIZPJBDBFFLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O3/c10-9(11,12)6-3-5(15(17)18)1-2-7(6)14-4-8(13)16/h1-3,14H,4H2,(H2,13,16).
What are the key properties of 2-[4-nitro-2-(trifluoromethyl)anilino]acetamide?
2-[4-nitro-2-(trifluoromethyl)anilino]acetamide has a molecular weight of 263.17 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-nitro-2-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 54935573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).