1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea

C19H24ClN3O — CID 11573773

IUPAC1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea
SMILESCN(C)CCC(NC(=O)NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O/c1-23(2)13-12-18(16-8-10-17(20)11-9-16)22-19(24)21-14-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyGWUNVBOCLNYZGJ-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.83
Rot. Bonds7

About 1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea

1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea (PubChem CID 11573773) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea
PubChem CID11573773
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea
SMILESCN(C)CCC(NC(=O)NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O/c1-23(2)13-12-18(16-8-10-17(20)11-9-16)22-19(24)21-14-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyGWUNVBOCLNYZGJ-UHFFFAOYSA-N
XLogP3.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lozilurea
CID 68907
1,3-Bis[(2-chlorophenyl)methyl]urea
CID 623497
Cumyluron
CID 11709249
1-(1-Benzyl-piperidin-4-yl)-4-(4-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10643588
1-[1-(3-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10667579
N-(4-chlorophenethyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42643589
N-(2,4-dichlorobenzyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42647178
4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
CID 44176908
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(p-tolyl)methyl]piperazine-1-carboxamide
CID 44177373
N-cyclohexyl-4-[(S)-(2,4-dichlorophenyl)-(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 56930624
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
1-(4-chlorobenzyl)tetrahydropyrimidin-2(1H)-one
CID 5076487

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea?
The IUPAC name of 1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea (CID 11573773) is 1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea?
The canonical SMILES for 1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea is CN(C)CCC(NC(=O)NCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea?
The InChIKey is GWUNVBOCLNYZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-23(2)13-12-18(16-8-10-17(20)11-9-16)22-19(24)21-14-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea?
1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea has a molecular weight of 345.87 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea is sourced from PubChem (CID 11573773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).