1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea

C15H15Cl2N3O — CID 108894872

IUPAC1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)11-8-6-10(7-9-11)18-15(21)19-14-12(16)4-3-5-13(14)17/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyICVFTJLUPHVBML-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.70
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea

1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea (PubChem CID 108894872) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
PubChem CID108894872
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)11-8-6-10(7-9-11)18-15(21)19-14-12(16)4-3-5-13(14)17/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyICVFTJLUPHVBML-UHFFFAOYSA-N
XLogP4.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
CID 108896576
N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 108896360
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172
1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108894700
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 71414128
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[4-(dimethylamino)phenyl]urea
CID 111452567
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea (CID 108894872) is 1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea is CN(C)c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea?
The InChIKey is ICVFTJLUPHVBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-20(2)11-8-6-10(7-9-11)18-15(21)19-14-12(16)4-3-5-13(14)17/h3-9H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea?
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea has a molecular weight of 324.21 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea is sourced from PubChem (CID 108894872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).