3-methyl-1,1-diphenylurea

C14H14N2O — CID 25711

IUPAC3-methyl-1,1-diphenylurea
SMILESCNC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)
InChIKeyIMFYAZJNDOZIFV-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.16
Rot. Bonds2

About 3-methyl-1,1-diphenylurea

3-methyl-1,1-diphenylurea (PubChem CID 25711) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-methyl-1,1-diphenylurea.

Molecular Properties

Compound Name3-methyl-1,1-diphenylurea
PubChem CID25711
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-methyl-1,1-diphenylurea
SMILESCNC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)
InChIKeyIMFYAZJNDOZIFV-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-diphenylurea?
The IUPAC name of 3-methyl-1,1-diphenylurea (CID 25711) is 3-methyl-1,1-diphenylurea.
What is the SMILES notation for 3-methyl-1,1-diphenylurea?
The canonical SMILES for 3-methyl-1,1-diphenylurea is CNC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-1,1-diphenylurea?
The InChIKey is IMFYAZJNDOZIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17).
What are the key properties of 3-methyl-1,1-diphenylurea?
3-methyl-1,1-diphenylurea has a molecular weight of 226.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-diphenylurea is sourced from PubChem (CID 25711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).