N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride

C21H21ClFN3O — CID 67781501

IUPACN'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride
SMILESCc1ccccc1CC(N)=Nc1ncccc1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C21H20FN3O.ClH/c1-15-5-2-3-6-17(15)13-20(23)25-21-19(7-4-12-24-21)26-14-16-8-10-18(22)11-9-16;/h2-12H,13-14H2,1H3,(H2,23,24,25);1H
InChIKeyDOCVKTRGLREEIX-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.76
Rot. Bonds6

About N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride

N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride (PubChem CID 67781501) has the molecular formula C21H21ClFN3O and a molecular weight of 385.87 g/mol. Its IUPAC name is N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride
PubChem CID67781501
Molecular FormulaC21H21ClFN3O
Molecular Weight385.87 g/mol
Exact Mass385.14
IUPAC NameN'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride
SMILESCc1ccccc1CC(N)=Nc1ncccc1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C21H20FN3O.ClH/c1-15-5-2-3-6-17(15)13-20(23)25-21-19(7-4-12-24-21)26-14-16-8-10-18(22)11-9-16;/h2-12H,13-14H2,1H3,(H2,23,24,25);1H
InChIKeyDOCVKTRGLREEIX-UHFFFAOYSA-N
XLogP4.76
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide
CID 54550623
N'-[3-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride
CID 67780700
dimethyl-[(3-phenylmethoxy-2-pyridinyl)imino]-λ4-sulfane
CID 163657184
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide;hydrochloride
CID 67780971
(4-fluorophenyl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]phenyl]methanone
CID 57082208
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136744785
1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine
CID 54462075
N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
2-[(4-fluorophenyl)methoxy]pyrimidine
CID 126953834
2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 169368086

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride?
The IUPAC name of N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride (CID 67781501) is N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride?
The canonical SMILES for N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride is Cc1ccccc1CC(N)=Nc1ncccc1OCc1ccc(F)cc1.Cl.
What is the InChIKey of N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride?
The InChIKey is DOCVKTRGLREEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O.ClH/c1-15-5-2-3-6-17(15)13-20(23)25-21-19(7-4-12-24-21)26-14-16-8-10-18(22)11-9-16;/h2-12H,13-14H2,1H3,(H2,23,24,25);1H.
What are the key properties of N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride?
N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride has a molecular weight of 385.87 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-(2-methylphenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 67781501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).