1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea

C16H13Cl4N3O3 — CID 135476845

IUPAC1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea
SMILESO=C(N/C=N/OCc1ccc(Cl)cc1Cl)NOCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl4N3O3/c17-11-5-4-10(15(20)6-11)7-25-22-9-21-16(24)23-26-8-12-13(18)2-1-3-14(12)19/h1-6,9H,7-8H2,(H2,21,22,23,24)
InChIKeyXMFZRFUHINORMI-UHFFFAOYSA-N
MW437.11 g/mol
LogP5.19
Rot. Bonds7

About 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea

1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea (PubChem CID 135476845) has the molecular formula C16H13Cl4N3O3 and a molecular weight of 437.11 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea
PubChem CID135476845
Molecular FormulaC16H13Cl4N3O3
Molecular Weight437.11 g/mol
Exact Mass434.97
IUPAC Name1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea
SMILESO=C(N/C=N/OCc1ccc(Cl)cc1Cl)NOCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl4N3O3/c17-11-5-4-10(15(20)6-11)7-25-22-9-21-16(24)23-26-8-12-13(18)2-1-3-14(12)19/h1-6,9H,7-8H2,(H2,21,22,23,24)
InChIKeyXMFZRFUHINORMI-UHFFFAOYSA-N
XLogP5.19
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.11
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]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-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea?
The IUPAC name of 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea (CID 135476845) is 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea is O=C(N/C=N/OCc1ccc(Cl)cc1Cl)NOCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea?
The InChIKey is XMFZRFUHINORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl4N3O3/c17-11-5-4-10(15(20)6-11)7-25-22-9-21-16(24)23-26-8-12-13(18)2-1-3-14(12)19/h1-6,9H,7-8H2,(H2,21,22,23,24).
What are the key properties of 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea?
1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea has a molecular weight of 437.11 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea is sourced from PubChem (CID 135476845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).