N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide

C12H14F4N2O — CID 81482573

IUPACN-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCC(C)(N)CNC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H14F4N2O/c1-11(2,17)6-18-10(19)8-5-7(12(14,15)16)3-4-9(8)13/h3-5H,6,17H2,1-2H3,(H,18,19)
InChIKeyWIGLMWKXOFPKHO-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.31
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide

N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 81482573) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID81482573
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC NameN-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCC(C)(N)CNC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H14F4N2O/c1-11(2,17)6-18-10(19)8-5-7(12(14,15)16)3-4-9(8)13/h3-5H,6,17H2,1-2H3,(H,18,19)
InChIKeyWIGLMWKXOFPKHO-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 70098587
2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 113271226
2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 82991096
N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 115697230
N-(4-chloro-2-methylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 114306055
N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide
CID 112551178
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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide (CID 81482573) is N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide is CC(C)(N)CNC(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is WIGLMWKXOFPKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-11(2,17)6-18-10(19)8-5-7(12(14,15)16)3-4-9(8)13/h3-5H,6,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide?
N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 278.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 81482573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).