N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride

C12H15ClF4N2O — CID 119524337

IUPACN-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc(F)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H14F4N2O.ClH/c1-11(2,6-17)18-10(19)7-3-4-9(13)8(5-7)12(14,15)16;/h3-5H,6,17H2,1-2H3,(H,18,19);1H
InChIKeyBLFPWUAYWCFHOO-UHFFFAOYSA-N
MW314.71 g/mol
LogP2.73
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119524337) has the molecular formula C12H15ClF4N2O and a molecular weight of 314.71 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119524337
Molecular FormulaC12H15ClF4N2O
Molecular Weight314.71 g/mol
Exact Mass314.08
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc(F)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H14F4N2O.ClH/c1-11(2,6-17)18-10(19)7-3-4-9(13)8(5-7)12(14,15)16;/h3-5H,6,17H2,1-2H3,(H,18,19);1H
InChIKeyBLFPWUAYWCFHOO-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.71
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-bromo-2-methylbutan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
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N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
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N-[2-(carbamoylamino)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 78993906
N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
CID 119523789
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
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1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one
CID 107290953
[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]thiourea
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2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 107290933

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride (CID 119524337) is N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride is CC(C)(CN)NC(=O)c1ccc(F)c(C(F)(F)F)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is BLFPWUAYWCFHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O.ClH/c1-11(2,6-17)18-10(19)7-3-4-9(13)8(5-7)12(14,15)16;/h3-5H,6,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 314.71 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119524337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).