[[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea

C14H11Cl2N3O2 — CID 168533783

IUPAC[[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2N3O2/c15-12-5-4-11(7-13(12)16)21-10-3-1-2-9(6-10)8-18-19-14(17)20/h1-8H,(H3,17,19,20)
InChIKeyWCZZUSQRGYXLBV-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.79
Rot. Bonds4

About [[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea

[[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea (PubChem CID 168533783) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is [[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea
PubChem CID168533783
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name[[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2N3O2/c15-12-5-4-11(7-13(12)16)21-10-3-1-2-9(6-10)8-18-19-14(17)20/h1-8H,(H3,17,19,20)
InChIKeyWCZZUSQRGYXLBV-UHFFFAOYSA-N
XLogP3.79
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.79
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

[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
CID 9017296
[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 110340726
2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine
CID 57145702
[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
[[3-(6-chloropyridazin-3-yl)oxyphenyl]methylideneamino]thiourea
CID 168535565
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
[(E)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110340789
[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5416165
[(E)-benzylideneamino]urea
CID 6861419

Frequently Asked Questions

What is the IUPAC name of [[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea?
The IUPAC name of [[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea (CID 168533783) is [[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for [[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea?
The canonical SMILES for [[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea is NC(=O)NN=Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of [[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea?
The InChIKey is WCZZUSQRGYXLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-12-5-4-11(7-13(12)16)21-10-3-1-2-9(6-10)8-18-19-14(17)20/h1-8H,(H3,17,19,20).
What are the key properties of [[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea?
[[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea has a molecular weight of 324.17 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 168533783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).