1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea

C15H12ClN3O — CID 62105247

IUPAC1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
SMILESCc1ccc(C#N)cc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN3O/c1-10-6-7-11(9-17)8-14(10)19-15(20)18-13-5-3-2-4-12(13)16/h2-8H,1H3,(H2,18,19,20)
InChIKeyWHLHRJKVVRSWJS-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.16
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea

1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea (PubChem CID 62105247) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
PubChem CID62105247
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
SMILESCc1ccc(C#N)cc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN3O/c1-10-6-7-11(9-17)8-14(10)19-15(20)18-13-5-3-2-4-12(13)16/h2-8H,1H3,(H2,18,19,20)
InChIKeyWHLHRJKVVRSWJS-UHFFFAOYSA-N
XLogP4.16
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 62105248
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
1-(5-cyano-2-methylphenyl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 94826096
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107653480
3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 80644972
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 47475886
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea
CID 22011348

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea (CID 62105247) is 1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea is Cc1ccc(C#N)cc1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea?
The InChIKey is WHLHRJKVVRSWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-10-6-7-11(9-17)8-14(10)19-15(20)18-13-5-3-2-4-12(13)16/h2-8H,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea?
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea has a molecular weight of 285.73 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea is sourced from PubChem (CID 62105247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).