2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide

C15H14ClFN2S — CID 169366107

IUPAC2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccccc1SCc1ccccc1F
InChIInChI=1S/C15H14ClFN2S/c16-9-15(18)19-13-7-3-4-8-14(13)20-10-11-5-1-2-6-12(11)17/h1-8H,9-10H2,(H2,18,19)
InChIKeyAJYCMHCLKGKHDB-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.35
Rot. Bonds5

About 2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide

2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide (PubChem CID 169366107) has the molecular formula C15H14ClFN2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide
PubChem CID169366107
Molecular FormulaC15H14ClFN2S
Molecular Weight308.81 g/mol
Exact Mass308.06
IUPAC Name2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccccc1SCc1ccccc1F
InChIInChI=1S/C15H14ClFN2S/c16-9-15(18)19-13-7-3-4-8-14(13)20-10-11-5-1-2-6-12(11)17/h1-8H,9-10H2,(H2,18,19)
InChIKeyAJYCMHCLKGKHDB-UHFFFAOYSA-N
XLogP4.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorophenyl)methylsulfanyl]benzoic acid
CID 2462926
1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene
CID 87128685
3-amino-4-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 3476853
3-[2-[(1-amino-2-chloroethylidene)amino]phenyl]-N,N-dimethylpropanamide
CID 169367026
1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91658314
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-6-fluorophenyl]ethanamine
CID 103288688
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 8647587
2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide
CID 110884483
2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
CID 169369825
3-[2-[(2-fluorophenyl)methylsulfanyl]anilino]propane-1,2-diol
CID 168597558

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide (CID 169366107) is 2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide is N/C(CCl)=N/c1ccccc1SCc1ccccc1F.
What is the InChIKey of 2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide?
The InChIKey is AJYCMHCLKGKHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2S/c16-9-15(18)19-13-7-3-4-8-14(13)20-10-11-5-1-2-6-12(11)17/h1-8H,9-10H2,(H2,18,19).
What are the key properties of 2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide?
2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide has a molecular weight of 308.81 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide is sourced from PubChem (CID 169366107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).