[(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea

C14H12ClN3O2 — CID 10684884

IUPAC[(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClN3O2/c15-12-3-1-2-4-13(12)20-11-7-5-10(6-8-11)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+
InChIKeyYXPGYHDZIYFDEO-RQZCQDPDSA-N
MW289.72 g/mol
LogP3.13
Rot. Bonds4

About [(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea

[(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea (PubChem CID 10684884) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is [(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea
PubChem CID10684884
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name[(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClN3O2/c15-12-3-1-2-4-13(12)20-11-7-5-10(6-8-11)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+
InChIKeyYXPGYHDZIYFDEO-RQZCQDPDSA-N
XLogP3.13
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.13
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 [(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea?
The IUPAC name of [(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea (CID 10684884) is [(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea is NC(=O)N/N=C/c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of [(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea?
The InChIKey is YXPGYHDZIYFDEO-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-12-3-1-2-4-13(12)20-11-7-5-10(6-8-11)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+.
What are the key properties of [(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea?
[(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea has a molecular weight of 289.72 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(2-chlorophenoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 10684884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).