N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide

C13H15Cl2NO2 — CID 47004753

IUPACN-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)C1CCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-8(9-4-5-10(14)11(15)7-9)16-13(17)12-3-2-6-18-12/h4-5,7-8,12H,2-3,6H2,1H3,(H,16,17)
InChIKeyJPDTYDPXYQZPDR-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.35
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide

N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide (PubChem CID 47004753) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
PubChem CID47004753
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)C1CCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-8(9-4-5-10(14)11(15)7-9)16-13(17)12-3-2-6-18-12/h4-5,7-8,12H,2-3,6H2,1H3,(H,16,17)
InChIKeyJPDTYDPXYQZPDR-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
CID 35367348
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide
CID 46580355
(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 38920001
N-[1-[4-(aminomethyl)phenyl]ethyl]oxolane-2-carboxamide
CID 54936119
2-[1-(3,4-dichlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978108
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
CID 17173548
(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146129699
(3S)-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 30823270
3-[1-(3,4-dichlorophenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 45330660

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide (CID 47004753) is N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide is CC(NC(=O)C1CCCO1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is JPDTYDPXYQZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-8(9-4-5-10(14)11(15)7-9)16-13(17)12-3-2-6-18-12/h4-5,7-8,12H,2-3,6H2,1H3,(H,16,17).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide?
N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 288.17 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 47004753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).