2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide

C17H16ClFN2OS — CID 94837771

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CSCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2OS/c1-12(13-6-8-15(19)9-7-13)20-21-17(22)11-23-10-14-4-2-3-5-16(14)18/h2-9H,10-11H2,1H3,(H,21,22)/b20-12-
InChIKeyNMBWJOIYKKQDOR-NDENLUEZSA-N
MW350.85 g/mol
LogP4.25
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide (PubChem CID 94837771) has the molecular formula C17H16ClFN2OS and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
PubChem CID94837771
Molecular FormulaC17H16ClFN2OS
Molecular Weight350.85 g/mol
Exact Mass350.07
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CSCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2OS/c1-12(13-6-8-15(19)9-7-13)20-21-17(22)11-23-10-14-4-2-3-5-16(14)18/h2-9H,10-11H2,1H3,(H,21,22)/b20-12-
InChIKeyNMBWJOIYKKQDOR-NDENLUEZSA-N
XLogP4.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.25
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

2-[(2-chlorobenzyl)sulfanyl]-N'-cycloheptylideneacetohydrazide
CID 809287
2-[(4-chlorobenzyl)sulfanyl]-N'-cyclopentylideneacetohydrazide
CID 1237479
N'-cyclopentylidene-2-[(2,6-dichlorobenzyl)sulfanyl]acetohydrazide
CID 3900665
2-[(4-chlorobenzyl)sulfanyl]-N'-(2,4-dichlorobenzylidene)acetohydrazide
CID 6876635
(4-Chloro-benzylsulfanyl)-acetic acid (4-methyl-benzylidene)-hydrazide
CID 9580169
2-[(4-chlorobenzyl)sulfanyl]-N'-cycloheptylideneacetohydrazide
CID 809282
N'-benzylidene-2-[(4-chlorobenzyl)sulfanyl]acetohydrazide
CID 6877552
Acetic acid, (methylthio)-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589056
Acetic acid, mercapto-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589059
2-[(4-chlorobenzyl)sulfanyl]-N'-(2-fluorobenzylidene)acetohydrazide
CID 6876641
3-[3-oxo-3-[(2E)-2-(1-phenylethylidene)hydrazinyl]propyl]sulfanyl-N-[(E)-1-phenylethylideneamino]propanamide
CID 6140911
2-[(4-chlorobenzyl)sulfanyl]-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide
CID 9580168

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide (CID 94837771) is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)CSCc1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The InChIKey is NMBWJOIYKKQDOR-NDENLUEZSA-N. The full InChI is InChI=1S/C17H16ClFN2OS/c1-12(13-6-8-15(19)9-7-13)20-21-17(22)11-23-10-14-4-2-3-5-16(14)18/h2-9H,10-11H2,1H3,(H,21,22)/b20-12-.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide has a molecular weight of 350.85 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 94837771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).