1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea

C15H12ClN3O — CID 17180173

IUPAC1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H12ClN3O/c1-10-6-7-12(16)8-14(10)19-15(20)18-13-5-3-2-4-11(13)9-17/h2-8H,1H3,(H2,18,19,20)
InChIKeyLTAZSZVSMRTCKE-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.16
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea

1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea (PubChem CID 17180173) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
PubChem CID17180173
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H12ClN3O/c1-10-6-7-12(16)8-14(10)19-15(20)18-13-5-3-2-4-11(13)9-17/h2-8H,1H3,(H2,18,19,20)
InChIKeyLTAZSZVSMRTCKE-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-chloro-2-cyanophenyl)-3-(2-fluorophenyl)urea
CID 64918546
1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea
CID 108868918
4-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
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6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 62105248
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea (CID 17180173) is 1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea is Cc1ccc(Cl)cc1NC(=O)Nc1ccccc1C#N.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea?
The InChIKey is LTAZSZVSMRTCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-10-6-7-12(16)8-14(10)19-15(20)18-13-5-3-2-4-11(13)9-17/h2-8H,1H3,(H2,18,19,20).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea?
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)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-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea is sourced from PubChem (CID 17180173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).