1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea

C17H18Cl2N2O — CID 108900379

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
SMILESCc1cc(C)c(NC(=O)NCCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c1-11-9-12(2)16(15(19)10-11)21-17(22)20-8-7-13-5-3-4-6-14(13)18/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)
InChIKeyILPYMLKXZNJAGG-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.97
Rot. Bonds4

About 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea

1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea (PubChem CID 108900379) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
PubChem CID108900379
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
SMILESCc1cc(C)c(NC(=O)NCCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c1-11-9-12(2)16(15(19)10-11)21-17(22)20-8-7-13-5-3-4-6-14(13)18/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)
InChIKeyILPYMLKXZNJAGG-UHFFFAOYSA-N
XLogP4.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891207
1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108900009
1-(2-chloro-4,6-dimethylphenyl)-3-(3-phenoxypropyl)urea
CID 108883243
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108889015
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-[2-(2-chlorophenyl)ethyl]-3-(3-hydroxyphenyl)urea
CID 108895923
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998293
1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
CID 108883413
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881452
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 86925990

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea (CID 108900379) is 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea is Cc1cc(C)c(NC(=O)NCCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
The InChIKey is ILPYMLKXZNJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-11-9-12(2)16(15(19)10-11)21-17(22)20-8-7-13-5-3-4-6-14(13)18/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea has a molecular weight of 337.25 g/mol, XLogP of 4.97, 4 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-[2-(2-chlorophenyl)ethyl]urea is sourced from PubChem (CID 108900379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).