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

C16H12Cl2F3NOS — CID 94848227

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12Cl2F3NOS/c17-12-5-4-10(14(18)7-12)8-24-9-15(23)22-13-3-1-2-11(6-13)16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyNWVWKVRGAXZTPO-UHFFFAOYSA-N
MW394.25 g/mol
LogP5.88
Rot. Bonds5

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

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 94848227) has the molecular formula C16H12Cl2F3NOS and a molecular weight of 394.25 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID94848227
Molecular FormulaC16H12Cl2F3NOS
Molecular Weight394.25 g/mol
Exact Mass393.00
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12Cl2F3NOS/c17-12-5-4-10(14(18)7-12)8-24-9-15(23)22-13-3-1-2-11(6-13)16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyNWVWKVRGAXZTPO-UHFFFAOYSA-N
XLogP5.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.25
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
4-[[3-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoyl]amino]benzoic acid
CID 17296399
(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 4162168
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
1-[(2,4-dichlorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19649602
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 28589500
2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998161
1-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-3-(3-nitrophenyl)urea
CID 3741055
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7900662
2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 5123778

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 94848227) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSCc1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NWVWKVRGAXZTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NOS/c17-12-5-4-10(14(18)7-12)8-24-9-15(23)22-13-3-1-2-11(6-13)16(19,20)21/h1-7H,8-9H2,(H,22,23).
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 394.25 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 94848227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).