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

C12H16Cl2N2O — CID 47103763

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-2-6-15-12(17)16-7-5-9-3-4-10(13)8-11(9)14/h3-4,8H,2,5-7H2,1H3,(H2,15,16,17)
InChIKeyIBVCLDILBOITKC-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.25
Rot. Bonds5

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

1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea (PubChem CID 47103763) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
PubChem CID47103763
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-2-6-15-12(17)16-7-5-9-3-4-10(13)8-11(9)14/h3-4,8H,2,5-7H2,1H3,(H2,15,16,17)
InChIKeyIBVCLDILBOITKC-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9303138
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172630
N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide
CID 109006595
2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61183611
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62853416
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988923
3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109635

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea (CID 47103763) is 1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea is CCCNC(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea?
The InChIKey is IBVCLDILBOITKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-2-6-15-12(17)16-7-5-9-3-4-10(13)8-11(9)14/h3-4,8H,2,5-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea?
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea has a molecular weight of 275.18 g/mol, XLogP of 3.25, 5 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-propylurea is sourced from PubChem (CID 47103763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).