1-phenyl-3-(phenylcarbamoyl)urea

C14H13N3O2 — CID 564706

IUPAC1-phenyl-3-(phenylcarbamoyl)urea
SMILESO=C(NC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H13N3O2/c18-13(15-11-7-3-1-4-8-11)17-14(19)16-12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18,19)
InChIKeyQCEAZVJAZBUHIY-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.04
Rot. Bonds2

About 1-phenyl-3-(phenylcarbamoyl)urea

1-phenyl-3-(phenylcarbamoyl)urea (PubChem CID 564706) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-phenyl-3-(phenylcarbamoyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(phenylcarbamoyl)urea
PubChem CID564706
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-phenyl-3-(phenylcarbamoyl)urea
SMILESO=C(NC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H13N3O2/c18-13(15-11-7-3-1-4-8-11)17-14(19)16-12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18,19)
InChIKeyQCEAZVJAZBUHIY-UHFFFAOYSA-N
XLogP3.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(phenylcarbamoyl)urea?
The IUPAC name of 1-phenyl-3-(phenylcarbamoyl)urea (CID 564706) is 1-phenyl-3-(phenylcarbamoyl)urea.
What is the SMILES notation for 1-phenyl-3-(phenylcarbamoyl)urea?
The canonical SMILES for 1-phenyl-3-(phenylcarbamoyl)urea is O=C(NC(=O)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(phenylcarbamoyl)urea?
The InChIKey is QCEAZVJAZBUHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13(15-11-7-3-1-4-8-11)17-14(19)16-12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18,19).
What are the key properties of 1-phenyl-3-(phenylcarbamoyl)urea?
1-phenyl-3-(phenylcarbamoyl)urea has a molecular weight of 255.28 g/mol, XLogP of 3.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(phenylcarbamoyl)urea is sourced from PubChem (CID 564706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).