1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea

C15H14Cl2N2O — CID 27036650

IUPAC1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-9-5-10(2)7-12(6-9)18-15(20)19-14-4-3-11(16)8-13(14)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyJOZMRXZBUFRVAS-UHFFFAOYSA-N
MW309.20 g/mol
LogP5.25
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea

1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea (PubChem CID 27036650) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
PubChem CID27036650
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-9-5-10(2)7-12(6-9)18-15(20)19-14-4-3-11(16)8-13(14)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyJOZMRXZBUFRVAS-UHFFFAOYSA-N
XLogP5.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.20
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dichlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108502902
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940
1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420
1-(2,4-dichlorophenyl)-3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]urea
CID 51031087
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
CID 108896387

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea (CID 27036650) is 1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea?
The InChIKey is JOZMRXZBUFRVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-5-10(2)7-12(6-9)18-15(20)19-14-4-3-11(16)8-13(14)17/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea?
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea has a molecular weight of 309.20 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 27036650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).