2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C15H13ClF2N2OS — CID 9098703

IUPAC2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H13ClF2N2OS/c16-12-3-1-2-4-13(12)19-9-14(21)20-10-5-7-11(8-6-10)22-15(17)18/h1-8,15,19H,9H2,(H,20,21)
InChIKeyJOIBBTQMHDECQN-UHFFFAOYSA-N
MW342.80 g/mol
LogP4.71
Rot. Bonds6

About 2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 9098703) has the molecular formula C15H13ClF2N2OS and a molecular weight of 342.80 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID9098703
Molecular FormulaC15H13ClF2N2OS
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H13ClF2N2OS/c16-12-3-1-2-4-13(12)19-9-14(21)20-10-5-7-11(8-6-10)22-15(17)18/h1-8,15,19H,9H2,(H,20,21)
InChIKeyJOIBBTQMHDECQN-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide
CID 9099106
1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea
CID 4852232
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
CID 54810199
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
2-(2-chloroanilino)-N-(4-propylphenyl)acetamide
CID 30535151
N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105236
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
2-(3-chloro-2-fluoroanilino)-N-phenylacetamide
CID 42070736
2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2094790
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methyl-5-nitroanilino)acetamide
CID 9081598

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 9098703) is 2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is O=C(CNc1ccccc1Cl)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is JOIBBTQMHDECQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2OS/c16-12-3-1-2-4-13(12)19-9-14(21)20-10-5-7-11(8-6-10)22-15(17)18/h1-8,15,19H,9H2,(H,20,21).
What are the key properties of 2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 342.80 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 9098703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).