[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea

C14H12ClN3O2 — CID 9017296

IUPAC[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClN3O2/c15-11-4-6-12(7-5-11)20-13-3-1-2-10(8-13)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9-
InChIKeyYHYQJOGEYRJUFX-MFOYZWKCSA-N
MW289.72 g/mol
LogP3.13
Rot. Bonds4

About [(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea

[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea (PubChem CID 9017296) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is [(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
PubChem CID9017296
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClN3O2/c15-11-4-6-12(7-5-11)20-13-3-1-2-10(8-13)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9-
InChIKeyYHYQJOGEYRJUFX-MFOYZWKCSA-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'}

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Related Compounds

[[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea
CID 168533783
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 110340726
N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882819
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8865376
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 92511340
[[3-fluoro-4-(4-fluorophenoxy)phenyl]methylideneamino]urea
CID 54483879

Frequently Asked Questions

What is the IUPAC name of [(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea (CID 9017296) is [(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea is NC(=O)N/N=C\c1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of [(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea?
The InChIKey is YHYQJOGEYRJUFX-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-11-4-6-12(7-5-11)20-13-3-1-2-10(8-13)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9-.
What are the key properties of [(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea?
[(Z)-[3-(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 [(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 9017296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).