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

C17H19Cl2N3O — CID 17463570

IUPAC1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea
SMILESCN(C)Cc1ccccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N3O/c1-22(2)11-13-6-4-3-5-12(13)10-20-17(23)21-14-7-8-15(18)16(19)9-14/h3-9H,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyISFZPXFFPNPHLT-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.38
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea (PubChem CID 17463570) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea
PubChem CID17463570
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea
SMILESCN(C)Cc1ccccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N3O/c1-22(2)11-13-6-4-3-5-12(13)10-20-17(23)21-14-7-8-15(18)16(19)9-14/h3-9H,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyISFZPXFFPNPHLT-UHFFFAOYSA-N
XLogP4.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Diuron
CID 3120
Monomethyldiuron
CID 19113
Neburon
CID 11145
N-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 594820
N-(4-Chlorobenzyl)-N'-phenylurea
CID 4150009
1-(4-Chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-Benzyl-3-(2,5-dichlorophenyl)urea
CID 234245
1-Benzyl-3-(4-chlorophenyl)urea
CID 730667
1-(2,3-Dichlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 4994857
1-(2,5-Dichlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768231
NAcM-OPT
CID 126711307
1-(4-Chlorophenyl)-3-(4-methylbenzyl)urea
CID 2337855

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea (CID 17463570) is 1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea is CN(C)Cc1ccccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea?
The InChIKey is ISFZPXFFPNPHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-22(2)11-13-6-4-3-5-12(13)10-20-17(23)21-14-7-8-15(18)16(19)9-14/h3-9H,10-11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea?
1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea has a molecular weight of 352.27 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea is sourced from PubChem (CID 17463570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).