[[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride

C15H15Cl2N3O3 — CID 174742481

IUPAC[[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride
SMILESCl.NC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H14ClN3O3.ClH/c16-12-4-1-10(2-5-12)9-22-13-6-3-11(14(20)7-13)8-18-19-15(17)21;/h1-8,20H,9H2,(H3,17,19,21);1H
InChIKeyPVNAFNVDFRKARY-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.05
Rot. Bonds5

About [[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride

[[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride (PubChem CID 174742481) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is [[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride.

Molecular Properties

Compound Name[[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride
PubChem CID174742481
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name[[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride
SMILESCl.NC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H14ClN3O3.ClH/c16-12-4-1-10(2-5-12)9-22-13-6-3-11(14(20)7-13)8-18-19-15(17)21;/h1-8,20H,9H2,(H3,17,19,21);1H
InChIKeyPVNAFNVDFRKARY-UHFFFAOYSA-N
XLogP3.05
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3-Chlorobenzyl)oxy]benzaldehyde semicarbazone
CID 6872676
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2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol
CID 137316385
[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
CID 139084762
[(E)-(5-hydroxy-2,2-dimethylchromen-6-yl)methylideneamino]urea
CID 172465564
4-((4-Chlorobenzyl)oxy)benzaldehyde semicarbazone
CID 9693408
2-(4-Chlorophenoxy)-N'-(2,4-dihydroxybenzylidene)acetohydrazide
CID 135559965
2-(2-Chlorophenoxy)-N'-(2,4-dihydroxybenzylidene)acetohydrazide
CID 135560549
1,3-bis[(E)-[(2-hydroxy-4-methoxyphenyl)methylidene]amino]urea
CID 136621585
2-({4-[(4-Chlorophenyl)methoxy]phenyl}methylidene)hydrazine-1-carboxamide
CID 57349025
[[4-[(4-Chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532073
[[4-[(4-Chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532102

Frequently Asked Questions

What is the IUPAC name of [[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride?
The IUPAC name of [[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride (CID 174742481) is [[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride.
What is the SMILES notation for [[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride?
The canonical SMILES for [[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride is Cl.NC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1O.
What is the InChIKey of [[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride?
The InChIKey is PVNAFNVDFRKARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3.ClH/c16-12-4-1-10(2-5-12)9-22-13-6-3-11(14(20)7-13)8-18-19-15(17)21;/h1-8,20H,9H2,(H3,17,19,21);1H.
What are the key properties of [[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride?
[[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride has a molecular weight of 356.21 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride is sourced from PubChem (CID 174742481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).