2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide

C13H17F2NO2 — CID 82816389

IUPAC2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)CCCO)c1F
InChIInChI=1S/C13H17F2NO2/c1-8-5-6-10(14)11(12(8)15)13(18)16-9(2)4-3-7-17/h5-6,9,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyOINFVDZLTGDKKP-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.16
Rot. Bonds5

About 2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide

2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide (PubChem CID 82816389) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide
PubChem CID82816389
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)CCCO)c1F
InChIInChI=1S/C13H17F2NO2/c1-8-5-6-10(14)11(12(8)15)13(18)16-9(2)4-3-7-17/h5-6,9,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyOINFVDZLTGDKKP-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromopropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82818849
2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid
CID 82815283
2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide
CID 82814887
2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide
CID 82815553
N-(1-bromo-4-methylpentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82817962
(2S)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82815432
N-(3-chlorobutyl)-2,6-difluoro-3-methylbenzamide
CID 82818845
(2S,3R)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965038
N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82816022
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate
CID 82799828
N-(5-chloropentan-2-yl)-2,6-difluorobenzamide
CID 114305791

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide (CID 82816389) is 2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide is Cc1ccc(F)c(C(=O)NC(C)CCCO)c1F.
What is the InChIKey of 2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide?
The InChIKey is OINFVDZLTGDKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8-5-6-10(14)11(12(8)15)13(18)16-9(2)4-3-7-17/h5-6,9,17H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of 2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide?
2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide has a molecular weight of 257.28 g/mol, XLogP of 2.16, 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-(5-hydroxypentan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 82816389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).