N-butyl-N-methyl-4-(trifluoromethyl)benzamide

C13H16F3NO — CID 91726300

IUPACN-butyl-N-methyl-4-(trifluoromethyl)benzamide
SMILESCCCCN(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO/c1-3-4-9-17(2)12(18)10-5-7-11(8-6-10)13(14,15)16/h5-8H,3-4,9H2,1-2H3
InChIKeyFPFNPECANBTGOU-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.58
Rot. Bonds4

About N-butyl-N-methyl-4-(trifluoromethyl)benzamide

N-butyl-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 91726300) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-butyl-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID91726300
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-butyl-N-methyl-4-(trifluoromethyl)benzamide
SMILESCCCCN(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO/c1-3-4-9-17(2)12(18)10-5-7-11(8-6-10)13(14,15)16/h5-8H,3-4,9H2,1-2H3
InChIKeyFPFNPECANBTGOU-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-butyl-N-methyl-4-(trifluoromethyl)benzamide (CID 91726300) is N-butyl-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-butyl-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-butyl-N-methyl-4-(trifluoromethyl)benzamide is CCCCN(C)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-butyl-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is FPFNPECANBTGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-3-4-9-17(2)12(18)10-5-7-11(8-6-10)13(14,15)16/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-N-methyl-4-(trifluoromethyl)benzamide?
N-butyl-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 259.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 91726300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).