[(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea

C8H6ClI2N3O — CID 154707892

IUPAC[(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1c(I)cc(Cl)cc1I
InChIInChI=1S/C8H6ClI2N3O/c9-4-1-6(10)5(7(11)2-4)3-13-14-8(12)15/h1-3H,(H3,12,14,15)/b13-3-
InChIKeyOLCLJICWDZBYSE-DXNYSGJVSA-N
MW449.42 g/mol
LogP2.55
Rot. Bonds2

About [(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea

[(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea (PubChem CID 154707892) has the molecular formula C8H6ClI2N3O and a molecular weight of 449.42 g/mol. Its IUPAC name is [(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea
PubChem CID154707892
Molecular FormulaC8H6ClI2N3O
Molecular Weight449.42 g/mol
Exact Mass448.83
IUPAC Name[(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1c(I)cc(Cl)cc1I
InChIInChI=1S/C8H6ClI2N3O/c9-4-1-6(10)5(7(11)2-4)3-13-14-8(12)15/h1-3H,(H3,12,14,15)/b13-3-
InChIKeyOLCLJICWDZBYSE-DXNYSGJVSA-N
XLogP2.55
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(10-chloroanthracen-9-yl)methylideneamino]urea
CID 3282620
[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea
CID 168533781
[(2,3,6-trifluorophenyl)methylideneamino]urea
CID 168531688
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[[2-chloro-4,6-bis(trifluoromethyl)phenyl]methylideneamino]urea
CID 168532972
[(2-bromo-5-fluoro-4-iodophenyl)methylideneamino]urea
CID 168534076
[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 136887163
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506
[(3,5-dichloro-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 168532842
[(3-chloro-2,4-difluorophenyl)methylideneamino]urea
CID 168531838

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea (CID 154707892) is [(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea is NC(=O)N/N=C\c1c(I)cc(Cl)cc1I.
What is the InChIKey of [(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea?
The InChIKey is OLCLJICWDZBYSE-DXNYSGJVSA-N. The full InChI is InChI=1S/C8H6ClI2N3O/c9-4-1-6(10)5(7(11)2-4)3-13-14-8(12)15/h1-3H,(H3,12,14,15)/b13-3-.
What are the key properties of [(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea?
[(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea has a molecular weight of 449.42 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea is sourced from PubChem (CID 154707892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).