phenylurea

C7H8N2O — CID 6145

IUPACphenylurea
SMILESNC(=O)Nc1ccccc1
InChIInChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyLUBJCRLGQSPQNN-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.18
Rot. Bonds1

About phenylurea

phenylurea (PubChem CID 6145) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is phenylurea.

Molecular Properties

Compound Namephenylurea
PubChem CID6145
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Namephenylurea
SMILESNC(=O)Nc1ccccc1
InChIInChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyLUBJCRLGQSPQNN-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenylurea?
The IUPAC name of phenylurea (CID 6145) is phenylurea.
What is the SMILES notation for phenylurea?
The canonical SMILES for phenylurea is NC(=O)Nc1ccccc1.
What is the InChIKey of phenylurea?
The InChIKey is LUBJCRLGQSPQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10).
What are the key properties of phenylurea?
phenylurea has a molecular weight of 136.15 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylurea is sourced from PubChem (CID 6145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).