1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea

C14H11Cl2N3O — CID 5332461

IUPAC1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1ccccc1
InChIInChI=1S/C14H11Cl2N3O/c15-11-7-6-10(13(16)8-11)9-17-19-14(20)18-12-4-2-1-3-5-12/h1-9H,(H2,18,19,20)/b17-9+
InChIKeyGJPJCLVSUVWDFH-RQZCQDPDSA-N
MW308.17 g/mol
LogP4.15
Rot. Bonds3

About 1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea

1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea (PubChem CID 5332461) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea
PubChem CID5332461
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1ccccc1
InChIInChI=1S/C14H11Cl2N3O/c15-11-7-6-10(13(16)8-11)9-17-19-14(20)18-12-4-2-1-3-5-12/h1-9H,(H2,18,19,20)/b17-9+
InChIKeyGJPJCLVSUVWDFH-RQZCQDPDSA-N
XLogP4.15
TPSA53.49 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 ≤ 54.15
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 1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea 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-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea (CID 5332461) is 1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea is O=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1ccccc1.
What is the InChIKey of 1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea?
The InChIKey is GJPJCLVSUVWDFH-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-11-7-6-10(13(16)8-11)9-17-19-14(20)18-12-4-2-1-3-5-12/h1-9H,(H2,18,19,20)/b17-9+.
What are the key properties of 1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea?
1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea has a molecular weight of 308.17 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea is sourced from PubChem (CID 5332461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).