3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

C13H17F2NO2 — CID 113356518

IUPAC3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-3-13(2,6-7-17)16-12(18)9-4-5-10(14)11(15)8-9/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyUQPQZNAFJKTWII-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.25
Rot. Bonds5

About 3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (PubChem CID 113356518) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
PubChem CID113356518
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-3-13(2,6-7-17)16-12(18)9-4-5-10(14)11(15)8-9/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyUQPQZNAFJKTWII-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002324
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
CID 97340429
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
N-(1-bromo-2-methylbutan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 114314492
2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide
CID 103945944
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (CID 113356518) is 3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is CCC(C)(CCO)NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The InChIKey is UQPQZNAFJKTWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-3-13(2,6-7-17)16-12(18)9-4-5-10(14)11(15)8-9/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of 3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide has a molecular weight of 257.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 113356518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).