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

C10H7F3N2O — CID 2736740

IUPACN-[4-cyano-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKeyOBFBGHKUUCGSPC-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.54
Rot. Bonds1

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

N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 2736740) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-cyano-2-(trifluoromethyl)phenyl]acetamide
PubChem CID2736740
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC NameN-[4-cyano-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKeyOBFBGHKUUCGSPC-UHFFFAOYSA-N
XLogP2.54
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide (CID 2736740) is N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C#N)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OBFBGHKUUCGSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16).
What are the key properties of N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide?
N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 228.17 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2736740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).