1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea

C15H14Cl2N2O — CID 108991412

IUPAC1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-9-4-3-5-10(2)14(9)19-15(20)18-13-7-11(16)6-12(17)8-13/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyDXXFGGYOKQJPLR-UHFFFAOYSA-N
MW309.20 g/mol
LogP5.25
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea

1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea (PubChem CID 108991412) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
PubChem CID108991412
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-9-4-3-5-10(2)14(9)19-15(20)18-13-7-11(16)6-12(17)8-13/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyDXXFGGYOKQJPLR-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

1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107653033
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959
N-(3,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035918
1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
CID 4224094
1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
1-(4-tert-butylphenyl)-3-(2,6-dimethylphenyl)urea
CID 108884885
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317
N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954608
4-chloro-2-[(2,6-dimethylphenyl)carbamoylamino]benzoic acid
CID 58994734
1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
CID 2224609
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
1-(3,5-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54586433

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea (CID 108991412) is 1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea?
The InChIKey is DXXFGGYOKQJPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-4-3-5-10(2)14(9)19-15(20)18-13-7-11(16)6-12(17)8-13/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea?
1-(3,5-dichlorophenyl)-3-(2,6-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-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 108991412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).