N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide

C16H20F2N2O3 — CID 113064554

IUPACN-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O3/c1-11(21)20(15-13(17)3-2-4-14(15)18)8-7-19-16(22)12-5-9-23-10-6-12/h2-4,12H,5-10H2,1H3,(H,19,22)
InChIKeyYYLIZWHSIIEHKE-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide

N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide (PubChem CID 113064554) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide
PubChem CID113064554
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC NameN-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O3/c1-11(21)20(15-13(17)3-2-4-14(15)18)8-7-19-16(22)12-5-9-23-10-6-12/h2-4,12H,5-10H2,1H3,(H,19,22)
InChIKeyYYLIZWHSIIEHKE-UHFFFAOYSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]cyclopropanecarboxamide
CID 113058076
N-[2-(N-acetyl-4-bromoanilino)ethyl]oxane-4-carboxamide
CID 113060376
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]oxane-4-carboxamide
CID 113060185
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide
CID 113063202
N-[2-[acetyl(cyclopropyl)amino]ethyl]oxane-4-carboxamide
CID 113052174
N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide
CID 113062144
3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113135341
N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide
CID 113056620
N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide
CID 113051902
2-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113181389
N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061599
N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
CID 113059565

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide (CID 113064554) is N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide is CC(=O)N(CCNC(=O)C1CCOCC1)c1c(F)cccc1F.
What is the InChIKey of N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide?
The InChIKey is YYLIZWHSIIEHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-11(21)20(15-13(17)3-2-4-14(15)18)8-7-19-16(22)12-5-9-23-10-6-12/h2-4,12H,5-10H2,1H3,(H,19,22).
What are the key properties of N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide?
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113064554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).