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

C15H14ClN3O2 — CID 900224

IUPAC[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClN3O2/c16-13-6-4-11(5-7-13)10-21-14-3-1-2-12(8-14)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20)
InChIKeyRUHHVQQMTVXNKT-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.92
Rot. Bonds5

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

[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 900224) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is [[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID900224
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClN3O2/c16-13-6-4-11(5-7-13)10-21-14-3-1-2-12(8-14)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20)
InChIKeyRUHHVQQMTVXNKT-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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Related Compounds

4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 110340726
[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
CID 9017296
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 4673369
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
CID 6046862
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 6182256
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770
1-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methylthiourea
CID 6025568
N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3715481
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560

Frequently Asked Questions

What is the IUPAC name of [[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea (CID 900224) is [[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea is NC(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of [[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is RUHHVQQMTVXNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-6-4-11(5-7-13)10-21-14-3-1-2-12(8-14)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20).
What are the key properties of [[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea?
[[3-[(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 [[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 900224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).