1-(4-methylphenyl)-3-phenylurea

C14H14N2O — CID 572170

IUPAC1-(4-methylphenyl)-3-phenylurea
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H14N2O/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17)
InChIKeyAGZGRJNNPSJVKR-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.64
Rot. Bonds2

About 1-(4-methylphenyl)-3-phenylurea

1-(4-methylphenyl)-3-phenylurea (PubChem CID 572170) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenylurea
PubChem CID572170
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-(4-methylphenyl)-3-phenylurea
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H14N2O/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17)
InChIKeyAGZGRJNNPSJVKR-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-methylphenyl)-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-(4-methylphenyl)-3-phenylurea?
The IUPAC name of 1-(4-methylphenyl)-3-phenylurea (CID 572170) is 1-(4-methylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenylurea?
The canonical SMILES for 1-(4-methylphenyl)-3-phenylurea is Cc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-phenylurea?
The InChIKey is AGZGRJNNPSJVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17).
What are the key properties of 1-(4-methylphenyl)-3-phenylurea?
1-(4-methylphenyl)-3-phenylurea has a molecular weight of 226.28 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-phenylurea is sourced from PubChem (CID 572170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).