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

C10H7F3N2O — CID 3823803

IUPAC2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
InChIKeyJBNCFFDGYDZEEN-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.56
Rot. Bonds2

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

2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 3823803) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID3823803
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
InChIKeyJBNCFFDGYDZEEN-UHFFFAOYSA-N
XLogP2.56
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide (CID 3823803) is 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide is N#CCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JBNCFFDGYDZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16).
What are the key properties of 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide?
2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 228.17 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3823803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).