1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea

C19H24ClN3O — CID 78881674

IUPAC1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
SMILESCC(NC(=O)NC(CN(C)C)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O/c1-14(15-9-11-17(20)12-10-15)21-19(24)22-18(13-23(2)3)16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3,(H2,21,22,24)
InChIKeyQTMJKOZHWIFZPZ-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.00
Rot. Bonds6

About 1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea

1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea (PubChem CID 78881674) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
PubChem CID78881674
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
SMILESCC(NC(=O)NC(CN(C)C)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O/c1-14(15-9-11-17(20)12-10-15)21-19(24)22-18(13-23(2)3)16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3,(H2,21,22,24)
InChIKeyQTMJKOZHWIFZPZ-UHFFFAOYSA-N
XLogP4.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]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

1-[1-(4-chloro-3-fluorophenyl)ethyl]-3-[1-(4-chlorophenyl)-2-(dimethylamino)ethyl]urea
CID 167941647
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 86993436
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
2-(4-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936319
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764
(2S)-2-[1-(4-chlorophenyl)ethylcarbamoylamino]propanoic acid
CID 54964203
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 78880248
5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide
CID 24504342

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea (CID 78881674) is 1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea is CC(NC(=O)NC(CN(C)C)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea?
The InChIKey is QTMJKOZHWIFZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-14(15-9-11-17(20)12-10-15)21-19(24)22-18(13-23(2)3)16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea?
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea has a molecular weight of 345.87 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea is sourced from PubChem (CID 78881674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).