2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide

C12H13F2NO2 — CID 82814887

IUPAC2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H13F2NO2/c1-6-4-5-9(13)10(11(6)14)12(17)15-7(2)8(3)16/h4-5,7H,1-3H3,(H,15,17)
InChIKeyBHDCQYBCNIJBLB-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.98
Rot. Bonds3

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

2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide (PubChem CID 82814887) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide
PubChem CID82814887
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H13F2NO2/c1-6-4-5-9(13)10(11(6)14)12(17)15-7(2)8(3)16/h4-5,7H,1-3H3,(H,15,17)
InChIKeyBHDCQYBCNIJBLB-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid
CID 82815283
N-(1-bromopropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82818849
(2S,3R)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965038
2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide
CID 82816389
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
2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide
CID 82815553
(2R)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926816
methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate
CID 82799828
3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996859
2,3-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996630
N-(1-amino-1-sulfanylidenebutan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82814814

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide (CID 82814887) is 2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide is CC(=O)C(C)NC(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide?
The InChIKey is BHDCQYBCNIJBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-6-4-5-9(13)10(11(6)14)12(17)15-7(2)8(3)16/h4-5,7H,1-3H3,(H,15,17).
What are the key properties of 2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide?
2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide has a molecular weight of 241.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide is sourced from PubChem (CID 82814887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).