2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide

C12H13F2NO2 — CID 64996706

IUPAC2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
SMILESCC(C)C(=O)CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H13F2NO2/c1-7(2)10(16)6-15-12(17)8-4-3-5-9(13)11(8)14/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyUTCFPQPMNRSOPH-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.92
Rot. Bonds4

About 2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide

2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide (PubChem CID 64996706) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
PubChem CID64996706
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
SMILESCC(C)C(=O)CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H13F2NO2/c1-7(2)10(16)6-15-12(17)8-4-3-5-9(13)11(8)14/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyUTCFPQPMNRSOPH-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
2,3-difluoro-N-pentylbenzamide
CID 62649821
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide
CID 76948126
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide (CID 64996706) is 2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide is CC(C)C(=O)CNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is UTCFPQPMNRSOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-7(2)10(16)6-15-12(17)8-4-3-5-9(13)11(8)14/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of 2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide?
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 241.24 g/mol, XLogP of 1.92, 4 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-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 64996706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).