1-(4-acetylphenyl)-3-naphthalen-1-ylurea

C19H16N2O2 — CID 4078786

IUPAC1-(4-acetylphenyl)-3-naphthalen-1-ylurea
SMILESCC(=O)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c1-13(22)14-9-11-16(12-10-14)20-19(23)21-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,1H3,(H2,20,21,23)
InChIKeyJDKMXGHQLNNQPK-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.69
Rot. Bonds3

About 1-(4-acetylphenyl)-3-naphthalen-1-ylurea

1-(4-acetylphenyl)-3-naphthalen-1-ylurea (PubChem CID 4078786) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-naphthalen-1-ylurea
PubChem CID4078786
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-(4-acetylphenyl)-3-naphthalen-1-ylurea
SMILESCC(=O)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c1-13(22)14-9-11-16(12-10-14)20-19(23)21-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,1H3,(H2,20,21,23)
InChIKeyJDKMXGHQLNNQPK-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-acetylphenyl)-3-naphthalen-1-ylurea 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-acetylphenyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(4-acetylphenyl)-3-naphthalen-1-ylurea (CID 4078786) is 1-(4-acetylphenyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(4-acetylphenyl)-3-naphthalen-1-ylurea is CC(=O)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-naphthalen-1-ylurea?
The InChIKey is JDKMXGHQLNNQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13(22)14-9-11-16(12-10-14)20-19(23)21-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,1H3,(H2,20,21,23).
What are the key properties of 1-(4-acetylphenyl)-3-naphthalen-1-ylurea?
1-(4-acetylphenyl)-3-naphthalen-1-ylurea has a molecular weight of 304.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 4078786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).