1-(4-cyanophenyl)-3-(3-formylphenyl)urea

C15H11N3O2 — CID 106912803

IUPAC1-(4-cyanophenyl)-3-(3-formylphenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2cccc(C=O)c2)cc1
InChIInChI=1S/C15H11N3O2/c16-9-11-4-6-13(7-5-11)17-15(20)18-14-3-1-2-12(8-14)10-19/h1-8,10H,(H2,17,18,20)
InChIKeyPSOISZIUXALWNY-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.01
Rot. Bonds3

About 1-(4-cyanophenyl)-3-(3-formylphenyl)urea

1-(4-cyanophenyl)-3-(3-formylphenyl)urea (PubChem CID 106912803) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(3-formylphenyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(3-formylphenyl)urea
PubChem CID106912803
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name1-(4-cyanophenyl)-3-(3-formylphenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2cccc(C=O)c2)cc1
InChIInChI=1S/C15H11N3O2/c16-9-11-4-6-13(7-5-11)17-15(20)18-14-3-1-2-12(8-14)10-19/h1-8,10H,(H2,17,18,20)
InChIKeyPSOISZIUXALWNY-UHFFFAOYSA-N
XLogP3.01
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyanophenyl)-3-(4-formylphenyl)urea
CID 106912787
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
3-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16786471
1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 87362484
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 3285930
1-(3-cyanophenyl)-3-(4-methylidenearsanylphenyl)urea
CID 161267287
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea
CID 106912821
1-(4-cyanophenyl)-3-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)urea
CID 16662014

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(3-formylphenyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(3-formylphenyl)urea (CID 106912803) is 1-(4-cyanophenyl)-3-(3-formylphenyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(3-formylphenyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(3-formylphenyl)urea is N#Cc1ccc(NC(=O)Nc2cccc(C=O)c2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(3-formylphenyl)urea?
The InChIKey is PSOISZIUXALWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c16-9-11-4-6-13(7-5-11)17-15(20)18-14-3-1-2-12(8-14)10-19/h1-8,10H,(H2,17,18,20).
What are the key properties of 1-(4-cyanophenyl)-3-(3-formylphenyl)urea?
1-(4-cyanophenyl)-3-(3-formylphenyl)urea has a molecular weight of 265.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(3-formylphenyl)urea is sourced from PubChem (CID 106912803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).