[3-(4-formylphenyl)phenyl]urea

C14H12N2O2 — CID 141415136

IUPAC[3-(4-formylphenyl)phenyl]urea
SMILESNC(=O)Nc1cccc(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C14H12N2O2/c15-14(18)16-13-3-1-2-12(8-13)11-6-4-10(9-17)5-7-11/h1-9H,(H3,15,16,18)
InChIKeyOWQLTTCHNZRIDD-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.66
Rot. Bonds3

About [3-(4-formylphenyl)phenyl]urea

[3-(4-formylphenyl)phenyl]urea (PubChem CID 141415136) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is [3-(4-formylphenyl)phenyl]urea.

Molecular Properties

Compound Name[3-(4-formylphenyl)phenyl]urea
PubChem CID141415136
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name[3-(4-formylphenyl)phenyl]urea
SMILESNC(=O)Nc1cccc(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C14H12N2O2/c15-14(18)16-13-3-1-2-12(8-13)11-6-4-10(9-17)5-7-11/h1-9H,(H3,15,16,18)
InChIKeyOWQLTTCHNZRIDD-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-formylphenyl)phenyl]urea?
The IUPAC name of [3-(4-formylphenyl)phenyl]urea (CID 141415136) is [3-(4-formylphenyl)phenyl]urea.
What is the SMILES notation for [3-(4-formylphenyl)phenyl]urea?
The canonical SMILES for [3-(4-formylphenyl)phenyl]urea is NC(=O)Nc1cccc(-c2ccc(C=O)cc2)c1.
What is the InChIKey of [3-(4-formylphenyl)phenyl]urea?
The InChIKey is OWQLTTCHNZRIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-14(18)16-13-3-1-2-12(8-13)11-6-4-10(9-17)5-7-11/h1-9H,(H3,15,16,18).
What are the key properties of [3-(4-formylphenyl)phenyl]urea?
[3-(4-formylphenyl)phenyl]urea has a molecular weight of 240.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-formylphenyl)phenyl]urea is sourced from PubChem (CID 141415136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).