2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide

C15H21FN2O2 — CID 78826010

IUPAC2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-2-18(13-7-5-12(16)6-8-13)11-15(19)17-10-14-4-3-9-20-14/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyWGEIUTJODWCYBL-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.95
Rot. Bonds6

About 2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 78826010) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID78826010
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-2-18(13-7-5-12(16)6-8-13)11-15(19)17-10-14-4-3-9-20-14/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyWGEIUTJODWCYBL-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1357592
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169221
2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113177577
2-[(4-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 127266916
2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113175560
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 111753851
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7443283
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 662297
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2929871

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 78826010) is 2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide is CCN(CC(=O)NCC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of 2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WGEIUTJODWCYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-18(13-7-5-12(16)6-8-13)11-15(19)17-10-14-4-3-9-20-14/h5-8,14H,2-4,9-11H2,1H3,(H,17,19).
What are the key properties of 2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 78826010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).