4-cyano-N-methyl-2-(trifluoromethyl)benzamide

C10H7F3N2O — CID 58243803

IUPAC4-cyano-N-methyl-2-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c1-15-9(16)7-3-2-6(5-14)4-8(7)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKeyLEOFZMKULIVDAZ-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.94
Rot. Bonds1

About 4-cyano-N-methyl-2-(trifluoromethyl)benzamide

4-cyano-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 58243803) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 4-cyano-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID58243803
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name4-cyano-N-methyl-2-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c1-15-9(16)7-3-2-6(5-14)4-8(7)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKeyLEOFZMKULIVDAZ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-cyano-N-methyl-2-(trifluoromethyl)benzamide (CID 58243803) is 4-cyano-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-cyano-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-cyano-N-methyl-2-(trifluoromethyl)benzamide is CNC(=O)c1ccc(C#N)cc1C(F)(F)F.
What is the InChIKey of 4-cyano-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is LEOFZMKULIVDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-15-9(16)7-3-2-6(5-14)4-8(7)10(11,12)13/h2-4H,1H3,(H,15,16).
What are the key properties of 4-cyano-N-methyl-2-(trifluoromethyl)benzamide?
4-cyano-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 228.17 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 58243803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).