1,1-diphenyl-3-(phenylcarbamoyl)urea

C20H17N3O2 — CID 71359478

IUPAC1,1-diphenyl-3-(phenylcarbamoyl)urea
SMILESO=C(NC(=O)N(c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H17N3O2/c24-19(21-16-10-4-1-5-11-16)22-20(25)23(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,21,22,24,25)
InChIKeyVYZRMUBHPVEZDV-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.77
Rot. Bonds3

About 1,1-diphenyl-3-(phenylcarbamoyl)urea

1,1-diphenyl-3-(phenylcarbamoyl)urea (PubChem CID 71359478) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1,1-diphenyl-3-(phenylcarbamoyl)urea.

Molecular Properties

Compound Name1,1-diphenyl-3-(phenylcarbamoyl)urea
PubChem CID71359478
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name1,1-diphenyl-3-(phenylcarbamoyl)urea
SMILESO=C(NC(=O)N(c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H17N3O2/c24-19(21-16-10-4-1-5-11-16)22-20(25)23(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,21,22,24,25)
InChIKeyVYZRMUBHPVEZDV-UHFFFAOYSA-N
XLogP4.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-(phenylcarbamoyl)urea?
The IUPAC name of 1,1-diphenyl-3-(phenylcarbamoyl)urea (CID 71359478) is 1,1-diphenyl-3-(phenylcarbamoyl)urea.
What is the SMILES notation for 1,1-diphenyl-3-(phenylcarbamoyl)urea?
The canonical SMILES for 1,1-diphenyl-3-(phenylcarbamoyl)urea is O=C(NC(=O)N(c1ccccc1)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-(phenylcarbamoyl)urea?
The InChIKey is VYZRMUBHPVEZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19(21-16-10-4-1-5-11-16)22-20(25)23(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,21,22,24,25).
What are the key properties of 1,1-diphenyl-3-(phenylcarbamoyl)urea?
1,1-diphenyl-3-(phenylcarbamoyl)urea has a molecular weight of 331.38 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-(phenylcarbamoyl)urea is sourced from PubChem (CID 71359478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).