1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea

C16H17ClN2O — CID 108888004

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-10-5-4-6-13(8-10)18-16(20)19-15-12(3)7-11(2)9-14(15)17/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyCGEUXZRQCZEVOY-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.91
Rot. Bonds2

About 1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea

1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea (PubChem CID 108888004) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
PubChem CID108888004
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-10-5-4-6-13(8-10)18-16(20)19-15-12(3)7-11(2)9-14(15)17/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyCGEUXZRQCZEVOY-UHFFFAOYSA-N
XLogP4.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-3-(3-hydroxyphenyl)urea
CID 108895874
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869537
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265605
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
CID 103480099
1-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872315

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea (CID 108888004) is 1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea?
The InChIKey is CGEUXZRQCZEVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10-5-4-6-13(8-10)18-16(20)19-15-12(3)7-11(2)9-14(15)17/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea?
1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea has a molecular weight of 288.78 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 108888004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).