N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride

C14H19ClF4N2O — CID 119643636

IUPACN-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C14H18F4N2O.ClH/c1-3-13(19,4-2)8-20-12(21)10-7-9(14(16,17)18)5-6-11(10)15;/h5-7H,3-4,8,19H2,1-2H3,(H,20,21);1H
InChIKeyWSMZBHFKRTZOGN-UHFFFAOYSA-N
MW342.76 g/mol
LogP3.51
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119643636) has the molecular formula C14H19ClF4N2O and a molecular weight of 342.76 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119643636
Molecular FormulaC14H19ClF4N2O
Molecular Weight342.76 g/mol
Exact Mass342.11
IUPAC NameN-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C14H18F4N2O.ClH/c1-3-13(19,4-2)8-20-12(21)10-7-9(14(16,17)18)5-6-11(10)15;/h5-7H,3-4,8,19H2,1-2H3,(H,20,21);1H
InChIKeyWSMZBHFKRTZOGN-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324
N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
CID 81483936
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233
N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 115697230
N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119642321
2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
N-(1-bromo-2-methylbutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 114314327
2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 82991096
2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613
2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide
CID 103461931
N-(4-chloro-2-methylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 114306055

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride (CID 119643636) is N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cc(C(F)(F)F)ccc1F.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is WSMZBHFKRTZOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O.ClH/c1-3-13(19,4-2)8-20-12(21)10-7-9(14(16,17)18)5-6-11(10)15;/h5-7H,3-4,8,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 342.76 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119643636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).