[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea

C15H13Cl2N3O2 — CID 110340726

IUPAC[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H13Cl2N3O2/c16-13-5-2-6-14(17)12(13)9-22-11-4-1-3-10(7-11)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)/b19-8+
InChIKeyWEZOTOCHZDKUID-UFWORHAWSA-N
MW338.19 g/mol
LogP3.57
Rot. Bonds5

About [(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea

[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 110340726) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is [(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID110340726
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H13Cl2N3O2/c16-13-5-2-6-14(17)12(13)9-22-11-4-1-3-10(7-11)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)/b19-8+
InChIKeyWEZOTOCHZDKUID-UFWORHAWSA-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

[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5416165
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110340733
[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 6872804
N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4105886
[[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532086
[[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea
CID 168533783
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
1-benzyl-3-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110340728
[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
CID 9017296
[[3-[(4-cyano-2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533209
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4072361

Frequently Asked Questions

What is the IUPAC name of [(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea (CID 110340726) is [(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea is NC(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of [(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is WEZOTOCHZDKUID-UFWORHAWSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-13-5-2-6-14(17)12(13)9-22-11-4-1-3-10(7-11)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)/b19-8+.
What are the key properties of [(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
[(E)-[3-[(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 [(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 110340726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).