2,6-difluoro-N-(3-oxopentan-2-yl)benzamide

C12H13F2NO2 — CID 64991673

IUPAC2,6-difluoro-N-(3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H13F2NO2/c1-3-10(16)7(2)15-12(17)11-8(13)5-4-6-9(11)14/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyGHYFMFRWRGKQFS-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.06
Rot. Bonds4

About 2,6-difluoro-N-(3-oxopentan-2-yl)benzamide

2,6-difluoro-N-(3-oxopentan-2-yl)benzamide (PubChem CID 64991673) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-oxopentan-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-oxopentan-2-yl)benzamide
PubChem CID64991673
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name2,6-difluoro-N-(3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H13F2NO2/c1-3-10(16)7(2)15-12(17)11-8(13)5-4-6-9(11)14/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyGHYFMFRWRGKQFS-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79253084
4-methylpentyl 2-[(2,6-difluorobenzoyl)amino]propanoate
CID 6423118
[(1R)-1-[(2,6-difluorobenzoyl)amino]ethyl]-trihydroxyboranuide
CID 53301829
[(1R)-1-[(2,6-difluorobenzoyl)amino]ethyl]boronic acid
CID 53324253
diethyl 2-[(2,6-difluorobenzoyl)amino]propanedioate
CID 59587668
N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
CID 166130167
N-(1-chloro-3-methylbutan-2-yl)-2,6-difluorobenzamide
CID 114305446
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61247337
N-(5-chloropentan-2-yl)-2,6-difluorobenzamide
CID 114305791
2,6-difluoro-N-[3-methyl-1-oxo-1-(pentan-3-ylamino)butan-2-yl]benzamide
CID 46561548
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluorobenzamide
CID 62094599

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-oxopentan-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(3-oxopentan-2-yl)benzamide (CID 64991673) is 2,6-difluoro-N-(3-oxopentan-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-oxopentan-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(3-oxopentan-2-yl)benzamide is CCC(=O)C(C)NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3-oxopentan-2-yl)benzamide?
The InChIKey is GHYFMFRWRGKQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-3-10(16)7(2)15-12(17)11-8(13)5-4-6-9(11)14/h4-7H,3H2,1-2H3,(H,15,17).
What are the key properties of 2,6-difluoro-N-(3-oxopentan-2-yl)benzamide?
2,6-difluoro-N-(3-oxopentan-2-yl)benzamide has a molecular weight of 241.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-oxopentan-2-yl)benzamide is sourced from PubChem (CID 64991673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).