2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide

C12H13F4NO — CID 83405796

IUPAC2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
SMILESCC(C)CNC(=O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C12H13F4NO/c1-7(2)6-17-11(18)10-8(12(14,15)16)4-3-5-9(10)13/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeySVDWSLCGOIBQJV-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.23
Rot. Bonds3

About 2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide

2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide (PubChem CID 83405796) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
PubChem CID83405796
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
SMILESCC(C)CNC(=O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C12H13F4NO/c1-7(2)6-17-11(18)10-8(12(14,15)16)4-3-5-9(10)13/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeySVDWSLCGOIBQJV-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766
2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 125464734
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten
CID 158241209
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide
CID 83405802
4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 171921541
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731692

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide (CID 83405796) is 2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide is CC(C)CNC(=O)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide?
The InChIKey is SVDWSLCGOIBQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-7(2)6-17-11(18)10-8(12(14,15)16)4-3-5-9(10)13/h3-5,7H,6H2,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide?
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide has a molecular weight of 263.23 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 83405796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).