2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine

C16H16Cl2N4O — CID 16728642

IUPAC2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22)/b21-10-
InChIKeyPBBMNRLZQDKFFX-FBHDLOMBSA-N
MW351.24 g/mol
LogP3.57
Rot. Bonds5

About 2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine

2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine (PubChem CID 16728642) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine
PubChem CID16728642
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22)/b21-10-
InChIKeyPBBMNRLZQDKFFX-FBHDLOMBSA-N
XLogP3.57
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine (CID 16728642) is 2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine is C/C(=N/N=C(N)N)c1cc(Cl)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine?
The InChIKey is PBBMNRLZQDKFFX-FBHDLOMBSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22)/b21-10-.
What are the key properties of 2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine?
2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine has a molecular weight of 351.24 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine is sourced from PubChem (CID 16728642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).