[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea

C15H14ClN3O2 — CID 6872676

IUPAC[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-13-3-1-2-12(8-13)10-21-14-6-4-11(5-7-14)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20)/b18-9+
InChIKeyQEKGRPBESPKSOF-GIJQJNRQSA-N
MW303.75 g/mol
LogP2.92
Rot. Bonds5

About [(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea

[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 6872676) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is [(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID6872676
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-13-3-1-2-12(8-13)10-21-14-6-4-11(5-7-14)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20)/b18-9+
InChIKeyQEKGRPBESPKSOF-GIJQJNRQSA-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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Related Compounds

2-(4-Chloro-2-methylphenoxy)-N'-(2-methoxybenzylidene)acetohydrazide
CID 9556542
Co-102862
CID 9816959
(2E)-2-(5-chloro-2-ethoxybenzylidene)hydrazinecarboxamide
CID 9557943
(2E)-2-{3-[2-(4-methylphenoxy)ethoxy]benzylidene}hydrazinecarboxamide
CID 9600675
(2E)-2-{4-[(3,4-dichlorobenzyl)oxy]benzylidene}hydrazinecarbothioamide
CID 9673903
(2E)-2-{3-[(4-fluorobenzyl)oxy]benzylidene}hydrazinecarboxamide
CID 5349894
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
2-[[2-[(2-Chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 5331552

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea (CID 6872676) is [(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea is NC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of [(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is QEKGRPBESPKSOF-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-3-1-2-12(8-13)10-21-14-6-4-11(5-7-14)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20)/b18-9+.
What are the key properties of [(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
[(E)-[4-[(3-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 [(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 6872676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).