1-(3-methylphenyl)-3-naphthalen-1-ylurea

C18H16N2O — CID 4196307

IUPAC1-(3-methylphenyl)-3-naphthalen-1-ylurea
SMILESCc1cccc(NC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C18H16N2O/c1-13-6-4-9-15(12-13)19-18(21)20-17-11-5-8-14-7-2-3-10-16(14)17/h2-12H,1H3,(H2,19,20,21)
InChIKeyGBNNRDPSNNKGFH-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.79
Rot. Bonds2

About 1-(3-methylphenyl)-3-naphthalen-1-ylurea

1-(3-methylphenyl)-3-naphthalen-1-ylurea (PubChem CID 4196307) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-naphthalen-1-ylurea
PubChem CID4196307
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(3-methylphenyl)-3-naphthalen-1-ylurea
SMILESCc1cccc(NC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C18H16N2O/c1-13-6-4-9-15(12-13)19-18(21)20-17-11-5-8-14-7-2-3-10-16(14)17/h2-12H,1H3,(H2,19,20,21)
InChIKeyGBNNRDPSNNKGFH-UHFFFAOYSA-N
XLogP4.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(3-methylphenyl)-3-naphthalen-1-ylurea (CID 4196307) is 1-(3-methylphenyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(3-methylphenyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(3-methylphenyl)-3-naphthalen-1-ylurea is Cc1cccc(NC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-naphthalen-1-ylurea?
The InChIKey is GBNNRDPSNNKGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-6-4-9-15(12-13)19-18(21)20-17-11-5-8-14-7-2-3-10-16(14)17/h2-12H,1H3,(H2,19,20,21).
What are the key properties of 1-(3-methylphenyl)-3-naphthalen-1-ylurea?
1-(3-methylphenyl)-3-naphthalen-1-ylurea has a molecular weight of 276.34 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 4196307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).