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

C15H11N3O2 — CID 106912787

IUPAC1-(3-cyanophenyl)-3-(4-formylphenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc(C=O)cc2)c1
InChIInChI=1S/C15H11N3O2/c16-9-12-2-1-3-14(8-12)18-15(20)17-13-6-4-11(10-19)5-7-13/h1-8,10H,(H2,17,18,20)
InChIKeyCRGDYJANVBUUCG-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.01
Rot. Bonds3

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

1-(3-cyanophenyl)-3-(4-formylphenyl)urea (PubChem CID 106912787) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-(4-formylphenyl)urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-(4-formylphenyl)urea
PubChem CID106912787
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name1-(3-cyanophenyl)-3-(4-formylphenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc(C=O)cc2)c1
InChIInChI=1S/C15H11N3O2/c16-9-12-2-1-3-14(8-12)18-15(20)17-13-6-4-11(10-19)5-7-13/h1-8,10H,(H2,17,18,20)
InChIKeyCRGDYJANVBUUCG-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-(4-cyanophenyl)-3-(3-formylphenyl)urea
CID 106912803
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-(3-cyanophenyl)-3-(4-methylidenearsanylphenyl)urea
CID 161267287
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64780329
1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
CID 64789061
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7966461
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea
CID 60563611
ethyl 4-[(3-cyanophenyl)carbamoylamino]benzoate
CID 46859859

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-(4-formylphenyl)urea?
The IUPAC name of 1-(3-cyanophenyl)-3-(4-formylphenyl)urea (CID 106912787) is 1-(3-cyanophenyl)-3-(4-formylphenyl)urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-(4-formylphenyl)urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-(4-formylphenyl)urea is N#Cc1cccc(NC(=O)Nc2ccc(C=O)cc2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-(4-formylphenyl)urea?
The InChIKey is CRGDYJANVBUUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c16-9-12-2-1-3-14(8-12)18-15(20)17-13-6-4-11(10-19)5-7-13/h1-8,10H,(H2,17,18,20).
What are the key properties of 1-(3-cyanophenyl)-3-(4-formylphenyl)urea?
1-(3-cyanophenyl)-3-(4-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-(3-cyanophenyl)-3-(4-formylphenyl)urea is sourced from PubChem (CID 106912787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).