1-(naphthalen-1-ylmethyl)-3-phenylurea

C18H16N2O — CID 2302746

IUPAC1-(naphthalen-1-ylmethyl)-3-phenylurea
SMILESO=C(NCc1cccc2ccccc12)Nc1ccccc1
InChIInChI=1S/C18H16N2O/c21-18(20-16-10-2-1-3-11-16)19-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2,(H2,19,20,21)
InChIKeyVFDZNBDGZLNNHI-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.16
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)-3-phenylurea

1-(naphthalen-1-ylmethyl)-3-phenylurea (PubChem CID 2302746) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-phenylurea
PubChem CID2302746
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(naphthalen-1-ylmethyl)-3-phenylurea
SMILESO=C(NCc1cccc2ccccc12)Nc1ccccc1
InChIInChI=1S/C18H16N2O/c21-18(20-16-10-2-1-3-11-16)19-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2,(H2,19,20,21)
InChIKeyVFDZNBDGZLNNHI-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-(naphthalen-1-ylmethyl)-3-phenylurea?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-phenylurea (CID 2302746) is 1-(naphthalen-1-ylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-phenylurea?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-phenylurea is O=C(NCc1cccc2ccccc12)Nc1ccccc1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-phenylurea?
The InChIKey is VFDZNBDGZLNNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(20-16-10-2-1-3-11-16)19-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2,(H2,19,20,21).
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-phenylurea?
1-(naphthalen-1-ylmethyl)-3-phenylurea 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-(naphthalen-1-ylmethyl)-3-phenylurea is sourced from PubChem (CID 2302746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).