2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C15H11Cl2F2NOS — CID 2094790

IUPAC2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H11Cl2F2NOS/c16-12-6-1-9(7-13(12)17)8-14(21)20-10-2-4-11(5-3-10)22-15(18)19/h1-7,15H,8H2,(H,20,21)
InChIKeyPQDBWAKAWHPJHG-UHFFFAOYSA-N
MW362.23 g/mol
LogP5.49
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 2094790) has the molecular formula C15H11Cl2F2NOS and a molecular weight of 362.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID2094790
Molecular FormulaC15H11Cl2F2NOS
Molecular Weight362.23 g/mol
Exact Mass360.99
IUPAC Name2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H11Cl2F2NOS/c16-12-6-1-9(7-13(12)17)8-14(21)20-10-2-4-11(5-3-10)22-15(18)19/h1-7,15H,8H2,(H,20,21)
InChIKeyPQDBWAKAWHPJHG-UHFFFAOYSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.23
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 26908550
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114310214
[4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate
CID 69029119
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9098703
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 43440240
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219
2-(3,4-dichlorophenyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55767282
2-(3,4-dichlorophenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 7892153

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 2094790) is 2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is PQDBWAKAWHPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F2NOS/c16-12-6-1-9(7-13(12)17)8-14(21)20-10-2-4-11(5-3-10)22-15(18)19/h1-7,15H,8H2,(H,20,21).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 362.23 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 2094790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).