1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea

C15H15ClN2O — CID 731680

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
SMILESCc1cc(C)c(NC(=O)Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10-8-11(2)14(13(16)9-10)18-15(19)17-12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyBSIFTYNHZACRHW-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.60
Rot. Bonds2

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

1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea (PubChem CID 731680) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
PubChem CID731680
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
SMILESCc1cc(C)c(NC(=O)Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10-8-11(2)14(13(16)9-10)18-15(19)17-12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyBSIFTYNHZACRHW-UHFFFAOYSA-N
XLogP4.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
CID 108888004
1-(2-chloro-4,6-dimethylphenyl)-3-(3-hydroxyphenyl)urea
CID 108895874
6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099984
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869537
1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108889015
1-(2,4-dibromo-6-methylphenyl)-3-phenylurea
CID 4558595
1-(2-chloro-4,6-dimethylphenyl)-3-(3-phenoxypropyl)urea
CID 108883243
ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate
CID 108991922
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900379
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
1-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872315
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521008

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea (CID 731680) is 1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea is Cc1cc(C)c(NC(=O)Nc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea?
The InChIKey is BSIFTYNHZACRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-8-11(2)14(13(16)9-10)18-15(19)17-12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea?
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea has a molecular weight of 274.75 g/mol, XLogP of 4.60, 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-phenylurea is sourced from PubChem (CID 731680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).