1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea

C20H17N3O — CID 91285452

IUPAC1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea
SMILESNC(=O)N(Cc1ccc2c[nH]cc2c1)c1cccc2ccccc12
InChIInChI=1S/C20H17N3O/c21-20(24)23(13-14-8-9-16-11-22-12-17(16)10-14)19-7-3-5-15-4-1-2-6-18(15)19/h1-12,22H,13H2,(H2,21,24)
InChIKeyKOLBRHXVDKUXLJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.41
Rot. Bonds3

About 1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea

1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea (PubChem CID 91285452) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea
PubChem CID91285452
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea
SMILESNC(=O)N(Cc1ccc2c[nH]cc2c1)c1cccc2ccccc12
InChIInChI=1S/C20H17N3O/c21-20(24)23(13-14-8-9-16-11-22-12-17(16)10-14)19-7-3-5-15-4-1-2-6-18(15)19/h1-12,22H,13H2,(H2,21,24)
InChIKeyKOLBRHXVDKUXLJ-UHFFFAOYSA-N
XLogP4.41
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea?
The IUPAC name of 1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea (CID 91285452) is 1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea.
What is the SMILES notation for 1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea?
The canonical SMILES for 1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea is NC(=O)N(Cc1ccc2c[nH]cc2c1)c1cccc2ccccc12.
What is the InChIKey of 1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea?
The InChIKey is KOLBRHXVDKUXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-20(24)23(13-14-8-9-16-11-22-12-17(16)10-14)19-7-3-5-15-4-1-2-6-18(15)19/h1-12,22H,13H2,(H2,21,24).
What are the key properties of 1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea?
1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea has a molecular weight of 315.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea is sourced from PubChem (CID 91285452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).