N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide

C13H15F2NO3 — CID 113102317

IUPACN-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1F)C1CCCO1
InChIInChI=1S/C13H15F2NO3/c14-9-3-4-11(10(15)8-9)19-7-5-16-13(17)12-2-1-6-18-12/h3-4,8,12H,1-2,5-7H2,(H,16,17)
InChIKeyKKWWJSGDFRVTKR-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.64
Rot. Bonds5

About N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide

N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide (PubChem CID 113102317) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide
PubChem CID113102317
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC NameN-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1F)C1CCCO1
InChIInChI=1S/C13H15F2NO3/c14-9-3-4-11(10(15)8-9)19-7-5-16-13(17)12-2-1-6-18-12/h3-4,8,12H,1-2,5-7H2,(H,16,17)
InChIKeyKKWWJSGDFRVTKR-UHFFFAOYSA-N
XLogP1.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 47380053
N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000825
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 113103038
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide
CID 63753369
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102
4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide
CID 113102340

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide (CID 113102317) is N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide is O=C(NCCOc1ccc(F)cc1F)C1CCCO1.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide?
The InChIKey is KKWWJSGDFRVTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c14-9-3-4-11(10(15)8-9)19-7-5-16-13(17)12-2-1-6-18-12/h3-4,8,12H,1-2,5-7H2,(H,16,17).
What are the key properties of N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide?
N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide has a molecular weight of 271.26 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113102317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).