N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

C17H18ClFN2S — CID 162391810

IUPACN'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Sc2ccccc2F)cc1Cl
InChIInChI=1S/C17H18ClFN2S/c1-4-21(3)11-20-15-9-12(2)17(10-13(15)18)22-16-8-6-5-7-14(16)19/h5-11H,4H2,1-3H3/b20-11+
InChIKeyOUYXLXOCSKVJPK-RGVLZGJSSA-N
MW336.86 g/mol
LogP5.55
Rot. Bonds5

About N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 162391810) has the molecular formula C17H18ClFN2S and a molecular weight of 336.86 g/mol. Its IUPAC name is N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID162391810
Molecular FormulaC17H18ClFN2S
Molecular Weight336.86 g/mol
Exact Mass336.09
IUPAC NameN'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Sc2ccccc2F)cc1Cl
InChIInChI=1S/C17H18ClFN2S/c1-4-21(3)11-20-15-9-12(2)17(10-13(15)18)22-16-8-6-5-7-14(16)19/h5-11H,4H2,1-3H3/b20-11+
InChIKeyOUYXLXOCSKVJPK-RGVLZGJSSA-N
XLogP5.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.86
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-chloro-4-(2-fluoro-5-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197712
N'-[2-chloro-4-[(2-fluorophenyl)methylsulfonylamino]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197895
N'-[4-(2-cyanophenyl)sulfanyl-2-ethyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 162391878
N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 142322913
N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide
CID 135363420
N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322874
N'-[2-chloro-4-(4-fluoro-3-methoxyanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322849
N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 91496481
N'-[2-chloro-4-[3-[(4-fluorophenyl)methoxy]oxetan-3-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 167445269
N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 162391792
N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197861
N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197650

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 162391810) is N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Sc2ccccc2F)cc1Cl.
What is the InChIKey of N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is OUYXLXOCSKVJPK-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H18ClFN2S/c1-4-21(3)11-20-15-9-12(2)17(10-13(15)18)22-16-8-6-5-7-14(16)19/h5-11H,4H2,1-3H3/b20-11+.
What are the key properties of N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 336.86 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 162391810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).