2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine

C15H14Cl2N4O — CID 16728636

IUPAC2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(Cl)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N4O/c16-12-4-1-10(2-5-12)9-22-14-7-13(17)6-3-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)/b20-8+
InChIKeyREIBIJZUPUGDDY-DNTJNYDQSA-N
MW337.21 g/mol
LogP3.18
Rot. Bonds5

About 2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine

2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine (PubChem CID 16728636) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
PubChem CID16728636
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(Cl)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N4O/c16-12-4-1-10(2-5-12)9-22-14-7-13(17)6-3-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)/b20-8+
InChIKeyREIBIJZUPUGDDY-DNTJNYDQSA-N
XLogP3.18
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
CID 16728633
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
2-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]guanidine
CID 168592723
2-[(E)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine;dihydroxy(oxo)azanium
CID 126960442
2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590729
2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine
CID 168592781
[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea
CID 168532167
2-[(E)-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110340285
2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
CID 16728610
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532744
2-[(E)-[5-bromo-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 16728613

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine (CID 16728636) is 2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine is NC(N)=N/N=C/c1ccc(Cl)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The InChIKey is REIBIJZUPUGDDY-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c16-12-4-1-10(2-5-12)9-22-14-7-13(17)6-3-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)/b20-8+.
What are the key properties of 2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine has a molecular weight of 337.21 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 16728636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).