2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide

C12H15F2NO2 — CID 82815553

IUPAC2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide
SMILESCCC(CO)NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H15F2NO2/c1-3-8(6-16)15-12(17)10-9(13)5-4-7(2)11(10)14/h4-5,8,16H,3,6H2,1-2H3,(H,15,17)
InChIKeyCAQXWCGHBKKTGR-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.77
Rot. Bonds4

About 2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide

2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide (PubChem CID 82815553) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide
PubChem CID82815553
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide
SMILESCCC(CO)NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H15F2NO2/c1-3-8(6-16)15-12(17)10-9(13)5-4-7(2)11(10)14/h4-5,8,16H,3,6H2,1-2H3,(H,15,17)
InChIKeyCAQXWCGHBKKTGR-UHFFFAOYSA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82816022
N-(1-bromo-4-methylpentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82817962
N-(1-amino-1-sulfanylidenebutan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82814814
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid
CID 82815283
2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide
CID 82816389
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
N-(1-bromopropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82818849
1-(2,6-difluoro-3-methylphenyl)-2-ethylbutan-1-one
CID 115785536
2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide
CID 82814887
2,4-difluoro-3-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65370851

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide (CID 82815553) is 2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide is CCC(CO)NC(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of 2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide?
The InChIKey is CAQXWCGHBKKTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-3-8(6-16)15-12(17)10-9(13)5-4-7(2)11(10)14/h4-5,8,16H,3,6H2,1-2H3,(H,15,17).
What are the key properties of 2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide?
2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide has a molecular weight of 243.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 82815553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).