2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide

C14H11ClFNOS — CID 17173241

IUPAC2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFNOS/c1-19-12-8-3-2-7-11(12)17-14(18)13-9(15)5-4-6-10(13)16/h2-8H,1H3,(H,17,18)
InChIKeyQXPMDNOWBXQDLE-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.45
Rot. Bonds3

About 2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide

2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 17173241) has the molecular formula C14H11ClFNOS and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide
PubChem CID17173241
Molecular FormulaC14H11ClFNOS
Molecular Weight295.77 g/mol
Exact Mass295.02
IUPAC Name2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFNOS/c1-19-12-8-3-2-7-11(12)17-14(18)13-9(15)5-4-6-10(13)16/h2-8H,1H3,(H,17,18)
InChIKeyQXPMDNOWBXQDLE-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide (CID 17173241) is 2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is QXPMDNOWBXQDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNOS/c1-19-12-8-3-2-7-11(12)17-14(18)13-9(15)5-4-6-10(13)16/h2-8H,1H3,(H,17,18).
What are the key properties of 2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide?
2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 295.77 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 17173241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).