3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide

C16H14ClF2NOS — CID 31523997

IUPAC3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccccc1SC(F)F
InChIInChI=1S/C16H14ClF2NOS/c17-12-6-2-1-5-11(12)9-10-15(21)20-13-7-3-4-8-14(13)22-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyASZYFQGZSHVVHJ-UHFFFAOYSA-N
MW341.81 g/mol
LogP5.23
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide

3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide (PubChem CID 31523997) has the molecular formula C16H14ClF2NOS and a molecular weight of 341.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide
PubChem CID31523997
Molecular FormulaC16H14ClF2NOS
Molecular Weight341.81 g/mol
Exact Mass341.05
IUPAC Name3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccccc1SC(F)F
InChIInChI=1S/C16H14ClF2NOS/c17-12-6-2-1-5-11(12)9-10-15(21)20-13-7-3-4-8-14(13)22-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyASZYFQGZSHVVHJ-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.81
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
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3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
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2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
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3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
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N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide
CID 24510717
2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
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CID 112766444

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide (CID 31523997) is 3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide is O=C(CCc1ccccc1Cl)Nc1ccccc1SC(F)F.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide?
The InChIKey is ASZYFQGZSHVVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NOS/c17-12-6-2-1-5-11(12)9-10-15(21)20-13-7-3-4-8-14(13)22-16(18)19/h1-8,16H,9-10H2,(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide?
3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide has a molecular weight of 341.81 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 31523997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).