4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide

C10H9F2NO2S — CID 134602897

IUPAC4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide
SMILESCSNC(=O)c1c(F)cc(C(C)=O)cc1F
InChIInChI=1S/C10H9F2NO2S/c1-5(14)6-3-7(11)9(8(12)4-6)10(15)13-16-2/h3-4H,1-2H3,(H,13,15)
InChIKeyNUXXWVOAJZPZIX-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.18
Rot. Bonds3

About 4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide

4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide (PubChem CID 134602897) has the molecular formula C10H9F2NO2S and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide.

Molecular Properties

Compound Name4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide
PubChem CID134602897
Molecular FormulaC10H9F2NO2S
Molecular Weight245.25 g/mol
Exact Mass245.03
IUPAC Name4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide
SMILESCSNC(=O)c1c(F)cc(C(C)=O)cc1F
InChIInChI=1S/C10H9F2NO2S/c1-5(14)6-3-7(11)9(8(12)4-6)10(15)13-16-2/h3-4H,1-2H3,(H,13,15)
InChIKeyNUXXWVOAJZPZIX-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone
CID 83383426
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
1-(4-chloro-3-fluoro-5-methylphenyl)ethanone
CID 118845013
1-(3,4-difluoro-5-phenylphenyl)ethanone
CID 117335912
1-(3-bromo-5-fluoro-4-iodophenyl)ethanone
CID 171002379
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
5-acetyl-3-fluoro-2-hydroxybenzaldehyde
CID 170687896
3,5-diacetyl-N-methylbenzamide;ethane
CID 142854666
1-[3-fluoro-4-iodo-5-(trifluoromethyl)phenyl]ethanone
CID 171022050
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923
1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone
CID 60710607
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide?
The IUPAC name of 4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide (CID 134602897) is 4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide.
What is the SMILES notation for 4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide?
The canonical SMILES for 4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide is CSNC(=O)c1c(F)cc(C(C)=O)cc1F.
What is the InChIKey of 4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide?
The InChIKey is NUXXWVOAJZPZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2S/c1-5(14)6-3-7(11)9(8(12)4-6)10(15)13-16-2/h3-4H,1-2H3,(H,13,15).
What are the key properties of 4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide?
4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide has a molecular weight of 245.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide is sourced from PubChem (CID 134602897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).