3,4-difluoro-N-(3-oxobutan-2-yl)benzamide

C11H11F2NO2 — CID 64996859

IUPAC3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2NO2/c1-6(7(2)15)14-11(16)8-3-4-9(12)10(13)5-8/h3-6H,1-2H3,(H,14,16)
InChIKeyJZMWARVUOUQKSL-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.67
Rot. Bonds3

About 3,4-difluoro-N-(3-oxobutan-2-yl)benzamide

3,4-difluoro-N-(3-oxobutan-2-yl)benzamide (PubChem CID 64996859) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 3,4-difluoro-N-(3-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
PubChem CID64996859
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2NO2/c1-6(7(2)15)14-11(16)8-3-4-9(12)10(13)5-8/h3-6H,1-2H3,(H,14,16)
InChIKeyJZMWARVUOUQKSL-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

(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
N-(1-cyanoethyl)-3,4-difluorobenzamide
CID 61119063
(2S)-2-[(3,4-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 42255657
N-(1-chloropropan-2-yl)-3,4-difluorobenzamide
CID 114299407
3-chloro-N-(3-oxobutan-2-yl)benzamide
CID 64997142
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
(2S)-2-[(3,4-difluorobenzoyl)amino]butanoic acid
CID 42255214
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884
2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide
CID 82814887

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(3-oxobutan-2-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(3-oxobutan-2-yl)benzamide (CID 64996859) is 3,4-difluoro-N-(3-oxobutan-2-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(3-oxobutan-2-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(3-oxobutan-2-yl)benzamide is CC(=O)C(C)NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(3-oxobutan-2-yl)benzamide?
The InChIKey is JZMWARVUOUQKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-6(7(2)15)14-11(16)8-3-4-9(12)10(13)5-8/h3-6H,1-2H3,(H,14,16).
What are the key properties of 3,4-difluoro-N-(3-oxobutan-2-yl)benzamide?
3,4-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 3,4-difluoro-N-(3-oxobutan-2-yl)benzamide is sourced from PubChem (CID 64996859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).