1-phenyl-1-(4-phenylphenyl)urea

C19H16N2O — CID 90698606

IUPAC1-phenyl-1-(4-phenylphenyl)urea
SMILESNC(=O)N(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16N2O/c20-19(22)21(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H2,20,22)
InChIKeyXRPUMRCSEQTMIS-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.57
Rot. Bonds3

About 1-phenyl-1-(4-phenylphenyl)urea

1-phenyl-1-(4-phenylphenyl)urea (PubChem CID 90698606) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-phenyl-1-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-phenyl-1-(4-phenylphenyl)urea
PubChem CID90698606
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-phenyl-1-(4-phenylphenyl)urea
SMILESNC(=O)N(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16N2O/c20-19(22)21(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H2,20,22)
InChIKeyXRPUMRCSEQTMIS-UHFFFAOYSA-N
XLogP4.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(4-phenylphenyl)urea?
The IUPAC name of 1-phenyl-1-(4-phenylphenyl)urea (CID 90698606) is 1-phenyl-1-(4-phenylphenyl)urea.
What is the SMILES notation for 1-phenyl-1-(4-phenylphenyl)urea?
The canonical SMILES for 1-phenyl-1-(4-phenylphenyl)urea is NC(=O)N(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-1-(4-phenylphenyl)urea?
The InChIKey is XRPUMRCSEQTMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c20-19(22)21(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H2,20,22).
What are the key properties of 1-phenyl-1-(4-phenylphenyl)urea?
1-phenyl-1-(4-phenylphenyl)urea has a molecular weight of 288.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(4-phenylphenyl)urea is sourced from PubChem (CID 90698606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).