1-benzyl-3-naphthalen-1-ylurea

C18H16N2O — CID 668231

IUPAC1-benzyl-3-naphthalen-1-ylurea
SMILESO=C(NCc1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H16N2O/c21-18(19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2,(H2,19,20,21)
InChIKeyFWIZGBBRZIIRBG-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.16
Rot. Bonds3

About 1-benzyl-3-naphthalen-1-ylurea

1-benzyl-3-naphthalen-1-ylurea (PubChem CID 668231) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-benzyl-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-benzyl-3-naphthalen-1-ylurea
PubChem CID668231
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-benzyl-3-naphthalen-1-ylurea
SMILESO=C(NCc1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H16N2O/c21-18(19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2,(H2,19,20,21)
InChIKeyFWIZGBBRZIIRBG-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 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 ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-naphthalen-1-ylurea?
The IUPAC name of 1-benzyl-3-naphthalen-1-ylurea (CID 668231) is 1-benzyl-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-benzyl-3-naphthalen-1-ylurea?
The canonical SMILES for 1-benzyl-3-naphthalen-1-ylurea is O=C(NCc1ccccc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-benzyl-3-naphthalen-1-ylurea?
The InChIKey is FWIZGBBRZIIRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2,(H2,19,20,21).
What are the key properties of 1-benzyl-3-naphthalen-1-ylurea?
1-benzyl-3-naphthalen-1-ylurea has a molecular weight of 276.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-naphthalen-1-ylurea is sourced from PubChem (CID 668231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).