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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Related Compounds

2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 79885803
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 79886002
(2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79883718
1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea
CID 69478072
N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
CID 81480735
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
2-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 68780122
cyclopentyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 79884769
N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62661525
2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide
CID 112698072
N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 112701403

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).