3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one

C12H13Cl2NO2 — CID 43823973

IUPAC3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one
SMILESCC(NC1CCOC1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO2/c1-7(15-11-4-5-17-12(11)16)9-3-2-8(13)6-10(9)14/h2-3,6-7,11,15H,4-5H2,1H3
InChIKeyPPQKEAFOGRJGOY-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.96
Rot. Bonds3

About 3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one

3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one (PubChem CID 43823973) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one
PubChem CID43823973
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one
SMILESCC(NC1CCOC1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO2/c1-7(15-11-4-5-17-12(11)16)9-3-2-8(13)6-10(9)14/h2-3,6-7,11,15H,4-5H2,1H3
InChIKeyPPQKEAFOGRJGOY-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one
CID 43824097
3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one
CID 43824080
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[1-(2,5-dichlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43723835
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096
3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one
CID 43823959
4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
CID 60663519
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one
CID 43824150
N-[1-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43110261
3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one
CID 43823969
4-[1-(2,4-dichlorophenyl)ethylamino]-1,1-dioxothiolan-3-ol
CID 60665717
N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747470

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one (CID 43823973) is 3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one is CC(NC1CCOC1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one?
The InChIKey is PPQKEAFOGRJGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-7(15-11-4-5-17-12(11)16)9-3-2-8(13)6-10(9)14/h2-3,6-7,11,15H,4-5H2,1H3.
What are the key properties of 3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one?
3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one has a molecular weight of 274.15 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one is sourced from PubChem (CID 43823973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).