[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium

C15H22FN2O2+ — CID 9252789

IUPAC[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(F)cc1)C[C@@H]1CCCCO1
InChIInChI=1S/C15H21FN2O2/c1-18(10-14-4-2-3-9-20-14)11-15(19)17-13-7-5-12(16)6-8-13/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)/p+1/t14-/m0/s1
InChIKeyATQCMBPNBMIQEV-AWEZNQCLSA-O
MW281.35 g/mol
LogP0.85
Rot. Bonds5

About [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium

[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium (PubChem CID 9252789) has the molecular formula C15H22FN2O2+ and a molecular weight of 281.35 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium
PubChem CID9252789
Molecular FormulaC15H22FN2O2+
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(F)cc1)C[C@@H]1CCCCO1
InChIInChI=1S/C15H21FN2O2/c1-18(10-14-4-2-3-9-20-14)11-15(19)17-13-7-5-12(16)6-8-13/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)/p+1/t14-/m0/s1
InChIKeyATQCMBPNBMIQEV-AWEZNQCLSA-O
XLogP0.85
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[[(2R)-oxan-2-yl]methyl]azanium
CID 9104939
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253430
N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide
CID 8719224
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 11938350
N-(4-fluorophenyl)-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide
CID 109446869
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
CID 45205523
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium
CID 8791256
2-[[ethylamino-(oxolan-2-ylmethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111138849
methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
CID 9037716

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium (CID 9252789) is [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium is C[NH+](CC(=O)Nc1ccc(F)cc1)C[C@@H]1CCCCO1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium?
The InChIKey is ATQCMBPNBMIQEV-AWEZNQCLSA-O. The full InChI is InChI=1S/C15H21FN2O2/c1-18(10-14-4-2-3-9-20-14)11-15(19)17-13-7-5-12(16)6-8-13/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)/p+1/t14-/m0/s1.
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium?
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium has a molecular weight of 281.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium is sourced from PubChem (CID 9252789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).