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

C14H15F4NO — CID 79886002

IUPACN-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(CC1CCC1)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H15F4NO/c1-19(8-9-4-2-5-9)13(20)10-6-3-7-11(12(10)15)14(16,17)18/h3,6-7,9H,2,4-5,8H2,1H3
InChIKeyDWXCRQQNKZTWJM-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.72
Rot. Bonds3

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

N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 79886002) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID79886002
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC NameN-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(CC1CCC1)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H15F4NO/c1-19(8-9-4-2-5-9)13(20)10-6-3-7-11(12(10)15)14(16,17)18/h3,6-7,9H,2,4-5,8H2,1H3
InChIKeyDWXCRQQNKZTWJM-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 113252164
N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381168
N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62856801
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide
CID 112698072
2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 79885803
methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]-methylamino]propanoate
CID 71683330
2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883708
(2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79883718
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide (CID 79886002) is N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide is CN(CC1CCC1)C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is DWXCRQQNKZTWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-19(8-9-4-2-5-9)13(20)10-6-3-7-11(12(10)15)14(16,17)18/h3,6-7,9H,2,4-5,8H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 289.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79886002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).