1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea

C17H18Cl2N2O — CID 108989118

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c18-15-7-6-14(16(19)12-15)9-11-21-17(22)20-10-8-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,20,21,22)
InChIKeyOULNODWZBWRDSE-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.08
Rot. Bonds6

About 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea

1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea (PubChem CID 108989118) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
PubChem CID108989118
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c18-15-7-6-14(16(19)12-15)9-11-21-17(22)20-10-8-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,20,21,22)
InChIKeyOULNODWZBWRDSE-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988923
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
N-[2-(3-chlorophenyl)ethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 109006805
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 9217667
3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172630
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61183611
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea (CID 108989118) is 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea?
The InChIKey is OULNODWZBWRDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-15-7-6-14(16(19)12-15)9-11-21-17(22)20-10-8-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,20,21,22).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea?
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea has a molecular weight of 337.25 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 108989118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).