N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide

C14H15F4NO — CID 115697230

IUPACN-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCCC1(NC(=O)c2cc(C(F)(F)F)ccc2F)CCC1
InChIInChI=1S/C14H15F4NO/c1-2-13(6-3-7-13)19-12(20)10-8-9(14(16,17)18)4-5-11(10)15/h4-5,8H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyIDMAVXJNDYZMSL-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.91
Rot. Bonds3

About N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide

N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 115697230) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID115697230
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC NameN-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCCC1(NC(=O)c2cc(C(F)(F)F)ccc2F)CCC1
InChIInChI=1S/C14H15F4NO/c1-2-13(6-3-7-13)19-12(20)10-8-9(14(16,17)18)4-5-11(10)15/h4-5,8H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyIDMAVXJNDYZMSL-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 119643636
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
2-fluoro-N-(1-methylsulfanylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 115900410
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 115456406
N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
CID 113272385
2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 113271226
N-(1-bromo-2-methylbutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 114314327
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 18712129
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide (CID 115697230) is N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide is CCC1(NC(=O)c2cc(C(F)(F)F)ccc2F)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is IDMAVXJNDYZMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-2-13(6-3-7-13)19-12(20)10-8-9(14(16,17)18)4-5-11(10)15/h4-5,8H,2-3,6-7H2,1H3,(H,19,20).
What are the key properties of N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide?
N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 289.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 115697230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).