1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea

C16H15N3O — CID 108991418

IUPAC1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H15N3O/c1-11-6-5-7-12(2)15(11)19-16(20)18-14-9-4-3-8-13(14)10-17/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyXOJATFSYPZBORV-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.82
Rot. Bonds2

About 1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea

1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea (PubChem CID 108991418) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
PubChem CID108991418
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H15N3O/c1-11-6-5-7-12(2)15(11)19-16(20)18-14-9-4-3-8-13(14)10-17/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyXOJATFSYPZBORV-UHFFFAOYSA-N
XLogP3.82
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108991723
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108501524
1-(2-cyanophenyl)-3-(2-iodophenyl)urea
CID 108868891
2-[(2-cyanophenyl)carbamoylamino]benzoic acid
CID 61189461
2-amino-N-(2-cyanophenyl)-6-methylbenzamide
CID 16781189
2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
CID 103857096
1-(2-cyanophenyl)-3-(2-phenylphenyl)urea
CID 102229386
1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 3285930
(2-cyanophenyl)urea
CID 13155570

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea (CID 108991418) is 1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)Nc1ccccc1C#N.
What is the InChIKey of 1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea?
The InChIKey is XOJATFSYPZBORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-6-5-7-12(2)15(11)19-16(20)18-14-9-4-3-8-13(14)10-17/h3-9H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea?
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea has a molecular weight of 265.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 108991418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).