[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea

C15H13Cl2N3O2 — CID 5416165

IUPAC[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H13Cl2N3O2/c16-13-2-1-3-14(17)12(13)9-22-11-6-4-10(5-7-11)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)/b19-8-
InChIKeyWUZDCZGVAOUWOZ-UWVJOHFNSA-N
MW338.19 g/mol
LogP3.57
Rot. Bonds5

About [(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea

[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 5416165) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is [(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID5416165
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H13Cl2N3O2/c16-13-2-1-3-14(17)12(13)9-22-11-6-4-10(5-7-11)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)/b19-8-
InChIKeyWUZDCZGVAOUWOZ-UWVJOHFNSA-N
XLogP3.57
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 110340726
N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1022163
[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 6872804
N'-[(E)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 19661089
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110338738
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
1-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-prop-2-enylthiourea
CID 3646609
N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-methylpropanamide
CID 39818810
[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110338795
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 900227
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062

Frequently Asked Questions

What is the IUPAC name of [(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea (CID 5416165) is [(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea is NC(=O)N/N=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of [(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is WUZDCZGVAOUWOZ-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-13-2-1-3-14(17)12(13)9-22-11-6-4-10(5-7-11)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)/b19-8-.
What are the key properties of [(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea has a molecular weight of 338.19 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 [(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 5416165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).