[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium

C19H22FN4O3+ — CID 9253430

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESCC(=O)Nc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN4O3/c1-13(25)21-15-7-9-17(10-8-15)23-19(27)12-24(2)11-18(26)22-16-5-3-14(20)4-6-16/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/p+1
InChIKeyFTCRXOHIBMESKN-UHFFFAOYSA-O
MW373.41 g/mol
LogP0.88
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium

[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9253430) has the molecular formula C19H22FN4O3+ and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
PubChem CID9253430
Molecular FormulaC19H22FN4O3+
Molecular Weight373.41 g/mol
Exact Mass373.17
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESCC(=O)Nc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN4O3/c1-13(25)21-15-7-9-17(10-8-15)23-19(27)12-24(2)11-18(26)22-16-5-3-14(20)4-6-16/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/p+1
InChIKeyFTCRXOHIBMESKN-UHFFFAOYSA-O
XLogP0.88
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
CID 9254626
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 9252800
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 7999133
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040901
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253555
[2-(3-bromo-4-methylanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253050
[2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 9253030
(2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9039568
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium
CID 9252789
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium (CID 9253430) is [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium is CC(=O)Nc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is FTCRXOHIBMESKN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21FN4O3/c1-13(25)21-15-7-9-17(10-8-15)23-19(27)12-24(2)11-18(26)22-16-5-3-14(20)4-6-16/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/p+1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 373.41 g/mol, XLogP of 0.88, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9253430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).