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

C14H12ClN3O2 — CID 10266199

IUPAC[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+
InChIKeyRDSXMWPLZFRVOT-RQZCQDPDSA-N
MW289.72 g/mol
LogP3.13
Rot. Bonds4

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

[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea (PubChem CID 10266199) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is [(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea
PubChem CID10266199
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+
InChIKeyRDSXMWPLZFRVOT-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'}

Analyze [(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Co-102862
CID 9816959
(2E)-2-(5-chloro-2-ethoxybenzylidene)hydrazinecarboxamide
CID 9557943
[(E)-(4-phenoxyphenyl)methyleneamino]thiourea
CID 9622473
[(E)-[(4-methoxyphenyl)methylidene]amino]urea
CID 9574903
N''-{4-[(4-chlorobenzyl)oxy]benzylidene}carbonohydrazonic diamide
CID 5942255
[[2-(3-Chlorobenzyl)oxybenzylidene]amino]thiourea
CID 6876815
Ethyl 2-{2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboxylate
CID 9564968
N''-{4-[(2-chlorobenzyl)oxy]benzylidene}carbonohydrazonic diamide
CID 9586311
N-[(1E)-2-(4-phenoxyphenyl)-1-azavinyl]methoxycarboxamide
CID 6904591
4-[(3-Chlorobenzyl)oxy]benzaldehyde semicarbazone
CID 6872676
N'-Benzylidene-2-(4-chlorophenoxy)acetohydrazide
CID 6870875
N'-(2-(Allyloxy)benzylidene)-2-(4-chlorophenoxy)acetohydrazide
CID 5334770

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea?
The IUPAC name of [(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea (CID 10266199) is [(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea is NC(=O)N/N=C/c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of [(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea?
The InChIKey is RDSXMWPLZFRVOT-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+.
What are the key properties of [(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]urea?
[(E)-[4-(4-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-(4-chlorophenoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 10266199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).