[naphthalen-1-yl(phenyl)methyl]urea

C18H16N2O — CID 2851554

IUPAC[naphthalen-1-yl(phenyl)methyl]urea
SMILESNC(=O)NC(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C18H16N2O/c19-18(21)20-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H,(H3,19,20,21)
InChIKeyVDZHVNYJRHKGQB-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.60
Rot. Bonds3

About [naphthalen-1-yl(phenyl)methyl]urea

[naphthalen-1-yl(phenyl)methyl]urea (PubChem CID 2851554) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is [naphthalen-1-yl(phenyl)methyl]urea.

Molecular Properties

Compound Name[naphthalen-1-yl(phenyl)methyl]urea
PubChem CID2851554
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name[naphthalen-1-yl(phenyl)methyl]urea
SMILESNC(=O)NC(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C18H16N2O/c19-18(21)20-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H,(H3,19,20,21)
InChIKeyVDZHVNYJRHKGQB-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [naphthalen-1-yl(phenyl)methyl]urea?
The IUPAC name of [naphthalen-1-yl(phenyl)methyl]urea (CID 2851554) is [naphthalen-1-yl(phenyl)methyl]urea.
What is the SMILES notation for [naphthalen-1-yl(phenyl)methyl]urea?
The canonical SMILES for [naphthalen-1-yl(phenyl)methyl]urea is NC(=O)NC(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of [naphthalen-1-yl(phenyl)methyl]urea?
The InChIKey is VDZHVNYJRHKGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-18(21)20-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H,(H3,19,20,21).
What are the key properties of [naphthalen-1-yl(phenyl)methyl]urea?
[naphthalen-1-yl(phenyl)methyl]urea has a molecular weight of 276.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [naphthalen-1-yl(phenyl)methyl]urea is sourced from PubChem (CID 2851554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).