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

C12H12F3NO — CID 170260526

IUPAC4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(C2CC2)cc1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c1-16-11(17)9-5-4-8(7-2-3-7)6-10(9)12(13,14)15/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyQECAESMZCVLWCT-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.94
Rot. Bonds2

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

4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 170260526) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID170260526
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(C2CC2)cc1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c1-16-11(17)9-5-4-8(7-2-3-7)6-10(9)12(13,14)15/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyQECAESMZCVLWCT-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide (CID 170260526) is 4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide is CNC(=O)c1ccc(C2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is QECAESMZCVLWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-16-11(17)9-5-4-8(7-2-3-7)6-10(9)12(13,14)15/h4-7H,2-3H2,1H3,(H,16,17).
What are the key properties of 4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide?
4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 243.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 170260526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).