[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium

C20H25FN3O2+ — CID 8791369

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2/c1-4-24(14(2)16-5-7-17(21)8-6-16)13-20(26)23-19-11-9-18(10-12-19)22-15(3)25/h5-12,14H,4,13H2,1-3H3,(H,22,25)(H,23,26)/p+1/t14-/m0/s1
InChIKeyMZFDVYQHSJXKKI-AWEZNQCLSA-O
MW358.44 g/mol
LogP2.39
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium (PubChem CID 8791369) has the molecular formula C20H25FN3O2+ and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium
PubChem CID8791369
Molecular FormulaC20H25FN3O2+
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2/c1-4-24(14(2)16-5-7-17(21)8-6-16)13-20(26)23-19-11-9-18(10-12-19)22-15(3)25/h5-12,14H,4,13H2,1-3H3,(H,22,25)(H,23,26)/p+1/t14-/m0/s1
InChIKeyMZFDVYQHSJXKKI-AWEZNQCLSA-O
XLogP2.39
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253430
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1R)-1-(3-nitrophenyl)ethyl]azanium
CID 8791556
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8791503
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8780108
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate
CID 32915458
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
CID 9254626
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
CID 8791451
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 8791398
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 16790462

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium (CID 8791369) is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium is CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium?
The InChIKey is MZFDVYQHSJXKKI-AWEZNQCLSA-O. The full InChI is InChI=1S/C20H24FN3O2/c1-4-24(14(2)16-5-7-17(21)8-6-16)13-20(26)23-19-11-9-18(10-12-19)22-15(3)25/h5-12,14H,4,13H2,1-3H3,(H,22,25)(H,23,26)/p+1/t14-/m0/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium has a molecular weight of 358.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium is sourced from PubChem (CID 8791369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).