2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide

C17H16ClFN2OS — CID 94837778

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CSCc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2OS/c1-12(14-5-7-16(19)8-6-14)20-21-17(22)11-23-10-13-3-2-4-15(18)9-13/h2-9H,10-11H2,1H3,(H,21,22)/b20-12-
InChIKeyANIHZHVWIHKLKF-NDENLUEZSA-N
MW350.85 g/mol
LogP4.25
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide (PubChem CID 94837778) has the molecular formula C17H16ClFN2OS and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
PubChem CID94837778
Molecular FormulaC17H16ClFN2OS
Molecular Weight350.85 g/mol
Exact Mass350.07
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CSCc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2OS/c1-12(14-5-7-16(19)8-6-14)20-21-17(22)11-23-10-13-3-2-4-15(18)9-13/h2-9H,10-11H2,1H3,(H,21,22)/b20-12-
InChIKeyANIHZHVWIHKLKF-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-bromophenyl)methylsulfanyl]-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 19630501
2-(4-chlorophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 4646464
N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 3306494
N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 55532780
N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 126137502
(3-chlorophenyl)methyl N'-[(4-fluorobenzoyl)amino]carbamimidothioate
CID 11820961
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
CID 9179466
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9475924
N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 3639982
2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
CID 94863296
N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 92663668

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide (CID 94837778) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)CSCc1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The InChIKey is ANIHZHVWIHKLKF-NDENLUEZSA-N. The full InChI is InChI=1S/C17H16ClFN2OS/c1-12(14-5-7-16(19)8-6-14)20-21-17(22)11-23-10-13-3-2-4-15(18)9-13/h2-9H,10-11H2,1H3,(H,21,22)/b20-12-.
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
2-[(3-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-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 94837778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).