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

C11H11F2NO2 — CID 64996630

IUPAC2,3-difluoro-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C11H11F2NO2/c1-6(7(2)15)14-11(16)8-4-3-5-9(12)10(8)13/h3-6H,1-2H3,(H,14,16)
InChIKeySIVBNNQMGSSDSC-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.67
Rot. Bonds3

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

2,3-difluoro-N-(3-oxobutan-2-yl)benzamide (PubChem CID 64996630) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-oxobutan-2-yl)benzamide
PubChem CID64996630
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name2,3-difluoro-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C11H11F2NO2/c1-6(7(2)15)14-11(16)8-4-3-5-9(12)10(8)13/h3-6H,1-2H3,(H,14,16)
InChIKeySIVBNNQMGSSDSC-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-chloropropan-2-yl)-2,3-difluorobenzamide
CID 114299570
2,3-difluoro-N-hexan-2-ylbenzamide
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CID 62648544
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095
N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide
CID 115662280
2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide
CID 82814887
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 62865993

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-oxobutan-2-yl)benzamide?
The IUPAC name of 2,3-difluoro-N-(3-oxobutan-2-yl)benzamide (CID 64996630) is 2,3-difluoro-N-(3-oxobutan-2-yl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(3-oxobutan-2-yl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(3-oxobutan-2-yl)benzamide is CC(=O)C(C)NC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(3-oxobutan-2-yl)benzamide?
The InChIKey is SIVBNNQMGSSDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-6(7(2)15)14-11(16)8-4-3-5-9(12)10(8)13/h3-6H,1-2H3,(H,14,16).
What are the key properties of 2,3-difluoro-N-(3-oxobutan-2-yl)benzamide?
2,3-difluoro-N-(3-oxobutan-2-yl)benzamide has a molecular weight of 227.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(3-oxobutan-2-yl)benzamide is sourced from PubChem (CID 64996630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).