1,1-dinaphthalen-1-ylurea

C21H16N2O — CID 19774748

IUPAC1,1-dinaphthalen-1-ylurea
SMILESNC(=O)N(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C21H16N2O/c22-21(24)23(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H2,22,24)
InChIKeyDUSTWKRUAGOEKK-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.21
Rot. Bonds2

About 1,1-dinaphthalen-1-ylurea

1,1-dinaphthalen-1-ylurea (PubChem CID 19774748) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1,1-dinaphthalen-1-ylurea.

Molecular Properties

Compound Name1,1-dinaphthalen-1-ylurea
PubChem CID19774748
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1,1-dinaphthalen-1-ylurea
SMILESNC(=O)N(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C21H16N2O/c22-21(24)23(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H2,22,24)
InChIKeyDUSTWKRUAGOEKK-UHFFFAOYSA-N
XLogP5.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dinaphthalen-1-ylurea?
The IUPAC name of 1,1-dinaphthalen-1-ylurea (CID 19774748) is 1,1-dinaphthalen-1-ylurea.
What is the SMILES notation for 1,1-dinaphthalen-1-ylurea?
The canonical SMILES for 1,1-dinaphthalen-1-ylurea is NC(=O)N(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1,1-dinaphthalen-1-ylurea?
The InChIKey is DUSTWKRUAGOEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c22-21(24)23(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H2,22,24).
What are the key properties of 1,1-dinaphthalen-1-ylurea?
1,1-dinaphthalen-1-ylurea has a molecular weight of 312.37 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dinaphthalen-1-ylurea is sourced from PubChem (CID 19774748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).