2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide

C12H14F3NO2 — CID 66108784

IUPAC2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3NO2/c1-7(2-3-17)6-16-12(18)11-9(14)4-8(13)5-10(11)15/h4-5,7,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyMCVBXUIESVJAHY-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.85
Rot. Bonds5

About 2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide

2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide (PubChem CID 66108784) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
PubChem CID66108784
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3NO2/c1-7(2-3-17)6-16-12(18)11-9(14)4-8(13)5-10(11)15/h4-5,7,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyMCVBXUIESVJAHY-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
CID 119497329
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66092192
4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103876642
2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460515
4,5-difluoro-N-(4-hydroxy-2-methylbutyl)-2-nitrobenzamide
CID 66092519
2,4,6-trifluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 65100571
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
2,4,6-trifluoro-N-propylbenzamide
CID 65100176

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide (CID 66108784) is 2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide is CC(CCO)CNC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
The InChIKey is MCVBXUIESVJAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-7(2-3-17)6-16-12(18)11-9(14)4-8(13)5-10(11)15/h4-5,7,17H,2-3,6H2,1H3,(H,16,18).
What are the key properties of 2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide has a molecular weight of 261.24 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 66108784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).