1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea

C16H17ClN2O — CID 45051162

IUPAC1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O/c1-10-6-11(2)8-14(7-10)19-16(20)18-13-5-4-12(3)15(17)9-13/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyCEYVGMLASNTIEL-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.91
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea

1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea (PubChem CID 45051162) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
PubChem CID45051162
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O/c1-10-6-11(2)8-14(7-10)19-16(20)18-13-5-4-12(3)15(17)9-13/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyCEYVGMLASNTIEL-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea (CID 45051162) is 1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea?
The InChIKey is CEYVGMLASNTIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10-6-11(2)8-14(7-10)19-16(20)18-13-5-4-12(3)15(17)9-13/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea?
1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)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-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 45051162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).