2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide

C16H14ClFN2OS — CID 6876641

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccc1F
InChIInChI=1S/C16H14ClFN2OS/c17-14-7-5-12(6-8-14)10-22-11-16(21)20-19-9-13-3-1-2-4-15(13)18/h1-9H,10-11H2,(H,20,21)/b19-9+
InChIKeyFXSZAHRZGGPMLZ-DJKKODMXSA-N
MW336.82 g/mol
LogP3.86
Rot. Bonds6

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide (PubChem CID 6876641) has the molecular formula C16H14ClFN2OS and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
PubChem CID6876641
Molecular FormulaC16H14ClFN2OS
Molecular Weight336.82 g/mol
Exact Mass336.05
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccc1F
InChIInChI=1S/C16H14ClFN2OS/c17-14-7-5-12(6-8-14)10-22-11-16(21)20-19-9-13-3-1-2-4-15(13)18/h1-9H,10-11H2,(H,20,21)/b19-9+
InChIKeyFXSZAHRZGGPMLZ-DJKKODMXSA-N
XLogP3.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-Chloro-benzylsulfanyl)-acetic acid (2,6-dichloro-benzylidene)-hydrazide
CID 9590479
2-[(4-chlorobenzyl)sulfanyl]-N'-(2,4-dichlorobenzylidene)acetohydrazide
CID 6876635
(4-Chloro-benzylsulfanyl)-acetic acid (4-methyl-benzylidene)-hydrazide
CID 9580169
N-[(3-chlorophenyl)methylideneamino]-3-[3-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 242566
N-[(4-fluorophenyl)methylideneamino]-3-[3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 244062
N-[(3-chlorophenyl)methylideneamino]-2-[1-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
CID 245150
2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(E)-(2-chlorophenyl)methylidene]acetohydrazide
CID 6865723
N'-benzylidene-2-[(4-chlorobenzyl)sulfanyl]acetohydrazide
CID 6877552
2-[(4-chlorobenzyl)sulfanyl]-N'-(4-cyano-2,2-dimethylbutylidene)acetohydrazide
CID 9592946
N'-(4-chlorobenzylidene)-2-(4-thiomorpholinyl)acetohydrazide
CID 5338349
Acetic acid, (methylthio)-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9589033
Acetic acid, mercapto-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9589060

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide (CID 6876641) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide is O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The InChIKey is FXSZAHRZGGPMLZ-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14ClFN2OS/c17-14-7-5-12(6-8-14)10-22-11-16(21)20-19-9-13-3-1-2-4-15(13)18/h1-9H,10-11H2,(H,20,21)/b19-9+.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide has a molecular weight of 336.82 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6876641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).