1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea

C16H16ClN3O3 — CID 724157

IUPAC1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea
SMILESCc1ccccc1OCC(=O)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O3/c1-11-4-2-3-5-14(11)23-10-15(21)19-20-16(22)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyAVASVPPTKGGPIP-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea

1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea (PubChem CID 724157) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea
PubChem CID724157
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea
SMILESCc1ccccc1OCC(=O)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O3/c1-11-4-2-3-5-14(11)23-10-15(21)19-20-16(22)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyAVASVPPTKGGPIP-UHFFFAOYSA-N
XLogP2.88
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]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 1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea (CID 724157) is 1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea is Cc1ccccc1OCC(=O)NNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea?
The InChIKey is AVASVPPTKGGPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-11-4-2-3-5-14(11)23-10-15(21)19-20-16(22)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea?
1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea has a molecular weight of 333.78 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]urea is sourced from PubChem (CID 724157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).