2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

C13H17F2NO2 — CID 61247337

IUPAC2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CO)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2/c1-8(2)6-9(7-17)16-13(18)12-10(14)4-3-5-11(12)15/h3-5,8-9,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyQPKQCLDINYVDPD-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.10
Rot. Bonds5

About 2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (PubChem CID 61247337) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
PubChem CID61247337
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CO)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2/c1-8(2)6-9(7-17)16-13(18)12-10(14)4-3-5-11(12)15/h3-5,8-9,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyQPKQCLDINYVDPD-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79253084
2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 61247074
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-(1-bromo-4-methylpentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82817962
2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 107358920
2,6-difluoro-N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 97012243
5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61242019
2,6-difluoro-N-(3-oxopentan-2-yl)benzamide
CID 64991673

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (CID 61247337) is 2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is CC(C)CC(CO)NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The InChIKey is QPKQCLDINYVDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8(2)6-9(7-17)16-13(18)12-10(14)4-3-5-11(12)15/h3-5,8-9,17H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide has a molecular weight of 257.28 g/mol, XLogP of 2.10, 5 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-hydroxy-4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 61247337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).