1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea

C15H15Cl2N3O — CID 108886172

IUPAC1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)12-6-4-11(5-7-12)18-15(21)19-14-9-10(16)3-8-13(14)17/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyIZQCDZKONFCUGE-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.70
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea

1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea (PubChem CID 108886172) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
PubChem CID108886172
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)12-6-4-11(5-7-12)18-15(21)19-14-9-10(16)3-8-13(14)17/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyIZQCDZKONFCUGE-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-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894768
S-[2-[(2,5-dichlorophenyl)carbamoyl]hydrazinyl] 4-(dimethylamino)benzenecarbothioate
CID 87792276
1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108992164
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 8534023
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894872
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 71718728
N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108527910
N-[2-chloro-5-(dimethylamino)phenyl]acetamide
CID 130011997
1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 71414128
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea (CID 108886172) is 1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea is CN(C)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea?
The InChIKey is IZQCDZKONFCUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-20(2)12-6-4-11(5-7-12)18-15(21)19-14-9-10(16)3-8-13(14)17/h3-9H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea?
1-(2,5-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-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea is sourced from PubChem (CID 108886172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).