N-propyl-3-(trifluoromethyl)benzamide

C11H12F3NO — CID 2767296

IUPACN-propyl-3-(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-2-6-15-10(16)8-4-3-5-9(7-8)11(12,13)14/h3-5,7H,2,6H2,1H3,(H,15,16)
InChIKeyOPQNVKBIBGFOCD-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.85
Rot. Bonds3

About N-propyl-3-(trifluoromethyl)benzamide

N-propyl-3-(trifluoromethyl)benzamide (PubChem CID 2767296) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-propyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-propyl-3-(trifluoromethyl)benzamide
PubChem CID2767296
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-propyl-3-(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-2-6-15-10(16)8-4-3-5-9(7-8)11(12,13)14/h3-5,7H,2,6H2,1H3,(H,15,16)
InChIKeyOPQNVKBIBGFOCD-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-propyl-3-(trifluoromethyl)benzamide (CID 2767296) is N-propyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-propyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-propyl-3-(trifluoromethyl)benzamide is CCCNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-propyl-3-(trifluoromethyl)benzamide?
The InChIKey is OPQNVKBIBGFOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-2-6-15-10(16)8-4-3-5-9(7-8)11(12,13)14/h3-5,7H,2,6H2,1H3,(H,15,16).
What are the key properties of N-propyl-3-(trifluoromethyl)benzamide?
N-propyl-3-(trifluoromethyl)benzamide has a molecular weight of 231.22 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2767296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).