[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea

C15H13Cl2N3O2 — CID 168532744

IUPAC[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N3O2/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)
InChIKeyDMWVDPHVRJJVEE-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.57
Rot. Bonds5

About [[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea

[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 168532744) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is [[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID168532744
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N3O2/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)
InChIKeyDMWVDPHVRJJVEE-UHFFFAOYSA-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)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea
CID 168532167
[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]urea
CID 168532706
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533091
N-[(Z)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-methylpropanamide
CID 39818805
4-[[4-chloro-2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126332446
4-[[4-chloro-2-[(Z)-[[2-(methylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 8989436
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
[[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3559416
N-[(E)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126326004
N-[(E)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126315344
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839

Frequently Asked Questions

What is the IUPAC name of [[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea (CID 168532744) is [[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea is NC(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of [[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is DMWVDPHVRJJVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21).
What are the key properties of [[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
[[5-chloro-2-[(4-chlorophenyl)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 [[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 168532744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).