1,3-diphenylurea

C13H12N2O — CID 7595

IUPAC1,3-diphenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChIKeyGWEHVDNNLFDJLR-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.33
Rot. Bonds2

About 1,3-diphenylurea

1,3-diphenylurea (PubChem CID 7595) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,3-diphenylurea.

Molecular Properties

Compound Name1,3-diphenylurea
PubChem CID7595
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1,3-diphenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChIKeyGWEHVDNNLFDJLR-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylurea?
The IUPAC name of 1,3-diphenylurea (CID 7595) is 1,3-diphenylurea.
What is the SMILES notation for 1,3-diphenylurea?
The canonical SMILES for 1,3-diphenylurea is O=C(Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1,3-diphenylurea?
The InChIKey is GWEHVDNNLFDJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16).
What are the key properties of 1,3-diphenylurea?
1,3-diphenylurea has a molecular weight of 212.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylurea is sourced from PubChem (CID 7595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).