3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide

C19H18ClF3N2O2S — CID 46531618

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1SCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF3N2O2S/c1-12(26)24-16(13-6-8-14(20)9-7-13)10-18(27)25-15-4-2-3-5-17(15)28-11-19(21,22)23/h2-9,16H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyTYVCCKPPNWMQKG-UHFFFAOYSA-N
MW430.88 g/mol
LogP5.20
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide (PubChem CID 46531618) has the molecular formula C19H18ClF3N2O2S and a molecular weight of 430.88 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
PubChem CID46531618
Molecular FormulaC19H18ClF3N2O2S
Molecular Weight430.88 g/mol
Exact Mass430.07
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1SCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF3N2O2S/c1-12(26)24-16(13-6-8-14(20)9-7-13)10-18(27)25-15-4-2-3-5-17(15)28-11-19(21,22)23/h2-9,16H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyTYVCCKPPNWMQKG-UHFFFAOYSA-N
XLogP5.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.88
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 78878766
4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16623224
3-acetamido-3-(4-bromophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 112811989
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
4-oxo-4-[2-(2,2,2-trifluoroethylsulfanyl)anilino]butanoic acid
CID 43579901
3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 62839170
3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide
CID 55764904
3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide (CID 46531618) is 3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide is CC(=O)NC(CC(=O)Nc1ccccc1SCC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
The InChIKey is TYVCCKPPNWMQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2S/c1-12(26)24-16(13-6-8-14(20)9-7-13)10-18(27)25-15-4-2-3-5-17(15)28-11-19(21,22)23/h2-9,16H,10-11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide has a molecular weight of 430.88 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 46531618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).