N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide

C13H13F4NO — CID 113252164

IUPACN-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1F)C1CCC1
InChIInChI=1S/C13H13F4NO/c1-18(8-4-2-5-8)12(19)9-6-3-7-10(11(9)14)13(15,16)17/h3,6-8H,2,4-5H2,1H3
InChIKeyFWITVEUNCDHZBS-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.47
Rot. Bonds2

About N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide

N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 113252164) has the molecular formula C13H13F4NO and a molecular weight of 275.24 g/mol. Its IUPAC name is N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID113252164
Molecular FormulaC13H13F4NO
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC NameN-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1F)C1CCC1
InChIInChI=1S/C13H13F4NO/c1-18(8-4-2-5-8)12(19)9-6-3-7-10(11(9)14)13(15,16)17/h3,6-8H,2,4-5H2,1H3
InChIKeyFWITVEUNCDHZBS-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide (CID 113252164) is N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide is CN(C(=O)c1cccc(C(F)(F)F)c1F)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is FWITVEUNCDHZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c1-18(8-4-2-5-8)12(19)9-6-3-7-10(11(9)14)13(15,16)17/h3,6-8H,2,4-5H2,1H3.
What are the key properties of N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 275.24 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 113252164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).