N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride

C20H18Cl3N3O — CID 67780801

IUPACN'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)=Nc1ncccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H17Cl2N3O.ClH/c21-16-9-8-15(17(22)12-16)13-26-18-7-4-10-24-20(18)25-19(23)11-14-5-2-1-3-6-14;/h1-10,12H,11,13H2,(H2,23,24,25);1H
InChIKeyIXJLNJKXSQXQEK-UHFFFAOYSA-N
MW422.74 g/mol
LogP5.62
Rot. Bonds6

About N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride

N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride (PubChem CID 67780801) has the molecular formula C20H18Cl3N3O and a molecular weight of 422.74 g/mol. Its IUPAC name is N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride
PubChem CID67780801
Molecular FormulaC20H18Cl3N3O
Molecular Weight422.74 g/mol
Exact Mass421.05
IUPAC NameN'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)=Nc1ncccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H17Cl2N3O.ClH/c21-16-9-8-15(17(22)12-16)13-26-18-7-4-10-24-20(18)25-19(23)11-14-5-2-1-3-6-14;/h1-10,12H,11,13H2,(H2,23,24,25);1H
InChIKeyIXJLNJKXSQXQEK-UHFFFAOYSA-N
XLogP5.62
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 55.62
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-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride
CID 67780700
N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide
CID 54550623
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
N'-(4-chlorophenyl)-2-phenylethanimidamide
CID 10977705
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211084
8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
CID 60864766
3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161313048
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine
CID 115634536
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212650
2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379840

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride?
The IUPAC name of N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride (CID 67780801) is N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride.
What is the SMILES notation for N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride?
The canonical SMILES for N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride is Cl.NC(Cc1ccccc1)=Nc1ncccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride?
The InChIKey is IXJLNJKXSQXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O.ClH/c21-16-9-8-15(17(22)12-16)13-26-18-7-4-10-24-20(18)25-19(23)11-14-5-2-1-3-6-14;/h1-10,12H,11,13H2,(H2,23,24,25);1H.
What are the key properties of N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride?
N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride has a molecular weight of 422.74 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride is sourced from PubChem (CID 67780801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).