N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide

C12H13F4NO — CID 79885795

IUPACN-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCCC(C)NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H13F4NO/c1-3-7(2)17-11(18)8-5-4-6-9(10(8)13)12(14,15)16/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyOOGWUHOPPHIZIX-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.37
Rot. Bonds3

About N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide

N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 79885795) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID79885795
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC NameN-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCCC(C)NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H13F4NO/c1-3-7(2)17-11(18)8-5-4-6-9(10(8)13)12(14,15)16/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyOOGWUHOPPHIZIX-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 71976318
2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide
CID 79885627
2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 71976035
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
undecyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]-3-methylbutanoate
CID 91739550
2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82723802
2-fluoro-N-(2-methylsulfinylpropyl)-3-(trifluoromethyl)benzamide
CID 115764438
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide
CID 126815917

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide (CID 79885795) is N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide is CCC(C)NC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is OOGWUHOPPHIZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-3-7(2)17-11(18)8-5-4-6-9(10(8)13)12(14,15)16/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide?
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 263.23 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79885795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).