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

C14H17Cl2NO2 — CID 116587940

IUPAC2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c1-2-17-13-8-19-7-10(13)14(18)6-9-3-4-11(15)12(16)5-9/h3-5,10,13,17H,2,6-8H2,1H3
InChIKeyCHSOFVKORIZKFD-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.73
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (PubChem CID 116587940) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
PubChem CID116587940
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c1-2-17-13-8-19-7-10(13)14(18)6-9-3-4-11(15)12(16)5-9/h3-5,10,13,17H,2,6-8H2,1H3
InChIKeyCHSOFVKORIZKFD-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588089
2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587823
2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588194
1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116588030
2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587669
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
CID 116588070
1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone
CID 116587805
2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
CID 116576172
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 155917808
[4-(ethylamino)oxolan-3-yl]-phenylmethanone
CID 116588048
N-[1-(2-chlorophenyl)propan-2-yl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257504

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (CID 116587940) is 2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is CCNC1COCC1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The InChIKey is CHSOFVKORIZKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-2-17-13-8-19-7-10(13)14(18)6-9-3-4-11(15)12(16)5-9/h3-5,10,13,17H,2,6-8H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone has a molecular weight of 302.20 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116587940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).