4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide

C12H12F3NO — CID 165345913

IUPAC4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(CC2CC2)cc1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-6-8(5-7-1-2-7)3-4-9(10)11(16)17/h3-4,6-7H,1-2,5H2,(H2,16,17)
InChIKeyRRORPWATEWMHEW-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.76
Rot. Bonds3

About 4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide

4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide (PubChem CID 165345913) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide
PubChem CID165345913
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(CC2CC2)cc1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-6-8(5-7-1-2-7)3-4-9(10)11(16)17/h3-4,6-7H,1-2,5H2,(H2,16,17)
InChIKeyRRORPWATEWMHEW-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide (CID 165345913) is 4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(CC2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide?
The InChIKey is RRORPWATEWMHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)10-6-8(5-7-1-2-7)3-4-9(10)11(16)17/h3-4,6-7H,1-2,5H2,(H2,16,17).
What are the key properties of 4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide?
4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide has a molecular weight of 243.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 165345913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).