[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea

C14H11Cl2N3O — CID 3249905

IUPAC[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea
SMILESNC(=O)NN=C(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O/c15-11-7-6-10(8-12(11)16)13(18-19-14(17)20)9-4-2-1-3-5-9/h1-8H,(H3,17,19,20)
InChIKeyRHPDZIURFDSKAN-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.41
Rot. Bonds3

About [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea

[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea (PubChem CID 3249905) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea.

Molecular Properties

Compound Name[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea
PubChem CID3249905
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea
SMILESNC(=O)NN=C(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O/c15-11-7-6-10(8-12(11)16)13(18-19-14(17)20)9-4-2-1-3-5-9/h1-8H,(H3,17,19,20)
InChIKeyRHPDZIURFDSKAN-UHFFFAOYSA-N
XLogP3.41
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [[(3,4-dichlorophenyl)-phenylmethylidene]amino]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 [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea?
The IUPAC name of [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea (CID 3249905) is [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea.
What is the SMILES notation for [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea?
The canonical SMILES for [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea is NC(=O)NN=C(c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea?
The InChIKey is RHPDZIURFDSKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-11-7-6-10(8-12(11)16)13(18-19-14(17)20)9-4-2-1-3-5-9/h1-8H,(H3,17,19,20).
What are the key properties of [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea?
[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea has a molecular weight of 308.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea is sourced from PubChem (CID 3249905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).