[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea

C15H13ClFN3O2 — CID 168532167

IUPAC[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(F)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFN3O2/c16-12-4-1-10(2-5-12)9-22-14-7-13(17)6-3-11(14)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)
InChIKeyWQIFEZOBIOMSOD-UHFFFAOYSA-N
MW321.74 g/mol
LogP3.06
Rot. Bonds5

About [[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea

[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea (PubChem CID 168532167) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is [[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea
PubChem CID168532167
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC Name[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(F)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFN3O2/c16-12-4-1-10(2-5-12)9-22-14-7-13(17)6-3-11(14)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)
InChIKeyWQIFEZOBIOMSOD-UHFFFAOYSA-N
XLogP3.06
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.06
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

[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532744
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532579
[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 4179094
[[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea
CID 168532203
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2165957
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 831292
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 96878778
N-[(E)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126326004

Frequently Asked Questions

What is the IUPAC name of [[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea?
The IUPAC name of [[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea (CID 168532167) is [[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea.
What is the SMILES notation for [[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea?
The canonical SMILES for [[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea is NC(=O)NN=Cc1ccc(F)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of [[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea?
The InChIKey is WQIFEZOBIOMSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c16-12-4-1-10(2-5-12)9-22-14-7-13(17)6-3-11(14)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21).
What are the key properties of [[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea?
[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea has a molecular weight of 321.74 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea is sourced from PubChem (CID 168532167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).