1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea

C15H10Cl4N4O3 — CID 135533439

IUPAC1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10Cl4N4O3/c16-9-1-7(13(24)11(18)3-9)5-20-22-15(26)23-21-6-8-2-10(17)4-12(19)14(8)25/h1-6,24-25H,(H2,22,23,26)/b20-5+,21-6+
InChIKeyNQVITINMBMVXCA-FKGLALOMSA-N
MW436.08 g/mol
LogP4.38
Rot. Bonds4

About 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea

1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea (PubChem CID 135533439) has the molecular formula C15H10Cl4N4O3 and a molecular weight of 436.08 g/mol. Its IUPAC name is 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
PubChem CID135533439
Molecular FormulaC15H10Cl4N4O3
Molecular Weight436.08 g/mol
Exact Mass433.95
IUPAC Name1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10Cl4N4O3/c16-9-1-7(13(24)11(18)3-9)5-20-22-15(26)23-21-6-8-2-10(17)4-12(19)14(8)25/h1-6,24-25H,(H2,22,23,26)/b20-5+,21-6+
InChIKeyNQVITINMBMVXCA-FKGLALOMSA-N
XLogP4.38
TPSA106.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.08
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea (CID 135533439) is 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea is O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is NQVITINMBMVXCA-FKGLALOMSA-N. The full InChI is InChI=1S/C15H10Cl4N4O3/c16-9-1-7(13(24)11(18)3-9)5-20-22-15(26)23-21-6-8-2-10(17)4-12(19)14(8)25/h1-6,24-25H,(H2,22,23,26)/b20-5+,21-6+.
What are the key properties of 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea has a molecular weight of 436.08 g/mol, XLogP of 4.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135533439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).