[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea

C15H14ClN3O2 — CID 57349025

IUPAC[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-13-5-1-12(2-6-13)10-21-14-7-3-11(4-8-14)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20)
InChIKeyCFZKYLHRJSQARU-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.92
Rot. Bonds5

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

[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 57349025) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is [[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID57349025
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-13-5-1-12(2-6-13)10-21-14-7-3-11(4-8-14)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20)
InChIKeyCFZKYLHRJSQARU-UHFFFAOYSA-N
XLogP2.92
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of [[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea (CID 57349025) is [[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea is NC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of [[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is CFZKYLHRJSQARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-5-1-12(2-6-13)10-21-14-7-3-11(4-8-14)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20).
What are the key properties of [[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea has a molecular weight of 303.75 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 57349025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).