1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea

C15H11Cl2N3O — CID 62105248

IUPAC1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
SMILESCc1ccc(C#N)cc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2N3O/c1-9-2-3-10(8-18)6-13(9)19-15(21)20-14-7-11(16)4-5-12(14)17/h2-7H,1H3,(H2,19,20,21)
InChIKeyNRLKUGHNRULNFC-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.82
Rot. Bonds2

About 1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea

1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea (PubChem CID 62105248) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
PubChem CID62105248
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
SMILESCc1ccc(C#N)cc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2N3O/c1-9-2-3-10(8-18)6-13(9)19-15(21)20-14-7-11(16)4-5-12(14)17/h2-7H,1H3,(H2,19,20,21)
InChIKeyNRLKUGHNRULNFC-UHFFFAOYSA-N
XLogP4.82
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107653480
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
CID 62059730
N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide
CID 103513783
1-(5-cyano-2-methylphenyl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 94826096
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea?
The IUPAC name of 1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea (CID 62105248) is 1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea is Cc1ccc(C#N)cc1NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea?
The InChIKey is NRLKUGHNRULNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c1-9-2-3-10(8-18)6-13(9)19-15(21)20-14-7-11(16)4-5-12(14)17/h2-7H,1H3,(H2,19,20,21).
What are the key properties of 1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea?
1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea has a molecular weight of 320.18 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea is sourced from PubChem (CID 62105248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).