N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide

C16H13F5N2OS — CID 46538030

IUPACN-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
SMILESO=C(CNc1ccccc1SCC(F)(F)F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H13F5N2OS/c17-11-6-5-10(7-12(11)18)23-15(24)8-22-13-3-1-2-4-14(13)25-9-16(19,20)21/h1-7,22H,8-9H2,(H,23,24)
InChIKeyQCPGVXTUYUXQTJ-UHFFFAOYSA-N
MW376.35 g/mol
LogP4.67
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide

N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide (PubChem CID 46538030) has the molecular formula C16H13F5N2OS and a molecular weight of 376.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
PubChem CID46538030
Molecular FormulaC16H13F5N2OS
Molecular Weight376.35 g/mol
Exact Mass376.07
IUPAC NameN-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
SMILESO=C(CNc1ccccc1SCC(F)(F)F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H13F5N2OS/c17-11-6-5-10(7-12(11)18)23-15(24)8-22-13-3-1-2-4-14(13)25-9-16(19,20)21/h1-7,22H,8-9H2,(H,23,24)
InChIKeyQCPGVXTUYUXQTJ-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 78844370
methyl 2-[[2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetyl]amino]benzoate
CID 43048401
methyl 2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471968
2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43041819
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 9102939
N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 35824178
methyl 3-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-methylbenzoate
CID 34075159
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(3,4-difluorophenyl)acetamide
CID 55766468
4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16623224

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide (CID 46538030) is N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide is O=C(CNc1ccccc1SCC(F)(F)F)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
The InChIKey is QCPGVXTUYUXQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2OS/c17-11-6-5-10(7-12(11)18)23-15(24)8-22-13-3-1-2-4-14(13)25-9-16(19,20)21/h1-7,22H,8-9H2,(H,23,24).
What are the key properties of N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide has a molecular weight of 376.35 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide is sourced from PubChem (CID 46538030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).