2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide

C15H11F3N2O3 — CID 956534

IUPAC2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)11-5-7-12(8-6-11)19-14(21)9-10-3-1-2-4-13(10)20(22)23/h1-8H,9H2,(H,19,21)
InChIKeyFBCXJERUPCAFNL-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.79
Rot. Bonds4

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

2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 956534) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID956534
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)11-5-7-12(8-6-11)19-14(21)9-10-3-1-2-4-13(10)20(22)23/h1-8H,9H2,(H,19,21)
InChIKeyFBCXJERUPCAFNL-UHFFFAOYSA-N
XLogP3.79
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.79
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

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-nitrophenyl)acetate
CID 2091999
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368
2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 31950827
2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27708565
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684287
2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9099829
N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2187430
2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 1309880
N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide
CID 60533837

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 956534) is 2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FBCXJERUPCAFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c16-15(17,18)11-5-7-12(8-6-11)19-14(21)9-10-3-1-2-4-13(10)20(22)23/h1-8H,9H2,(H,19,21).
What are the key properties of 2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 324.26 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 956534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).