2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide

C14H17Cl2NO2 — CID 29038254

IUPAC2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1
InChIInChI=1S/C14H17Cl2NO2/c1-9(13-3-2-6-19-13)17-14(18)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13H,2-3,6,8H2,1H3,(H,17,18)/t9-,13+/m0/s1
InChIKeyWTRAMAOHPJAVCL-TVQRCGJNSA-N
MW302.20 g/mol
LogP3.22
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide

2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide (PubChem CID 29038254) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
PubChem CID29038254
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1
InChIInChI=1S/C14H17Cl2NO2/c1-9(13-3-2-6-19-13)17-14(18)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13H,2-3,6,8H2,1H3,(H,17,18)/t9-,13+/m0/s1
InChIKeyWTRAMAOHPJAVCL-TVQRCGJNSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 61399786
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 63590874
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 35272557
2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533746
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 2970318
1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
CID 134006670

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide (CID 29038254) is 2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide is C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The InChIKey is WTRAMAOHPJAVCL-TVQRCGJNSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-9(13-3-2-6-19-13)17-14(18)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13H,2-3,6,8H2,1H3,(H,17,18)/t9-,13+/m0/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide has a molecular weight of 302.20 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 29038254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).