[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium

C21H25FN3O3+ — CID 8010680

IUPAC[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C21H24FN3O3/c1-3-25(13-20(27)23-12-16-8-10-17(22)11-9-16)14-21(28)24-19-7-5-4-6-18(19)15(2)26/h4-11H,3,12-14H2,1-2H3,(H,23,27)(H,24,28)/p+1
InChIKeyZLBKJCXIWCEGJA-UHFFFAOYSA-O
MW386.45 g/mol
LogP1.19
Rot. Bonds9

About [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium

[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 8010680) has the molecular formula C21H25FN3O3+ and a molecular weight of 386.45 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
PubChem CID8010680
Molecular FormulaC21H25FN3O3+
Molecular Weight386.45 g/mol
Exact Mass386.19
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C21H24FN3O3/c1-3-25(13-20(27)23-12-16-8-10-17(22)11-9-16)14-21(28)24-19-7-5-4-6-18(19)15(2)26/h4-11H,3,12-14H2,1-2H3,(H,23,27)(H,24,28)/p+1
InChIKeyZLBKJCXIWCEGJA-UHFFFAOYSA-O
XLogP1.19
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
CID 9465124
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9039158
[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026504
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 9465860
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
CID 8779933
[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8552631
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium
CID 9433318
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 9363347
ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2580437
[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907146
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium
CID 8541486

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium (CID 8010680) is [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium is CC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccccc1C(C)=O.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is ZLBKJCXIWCEGJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24FN3O3/c1-3-25(13-20(27)23-12-16-8-10-17(22)11-9-16)14-21(28)24-19-7-5-4-6-18(19)15(2)26/h4-11H,3,12-14H2,1-2H3,(H,23,27)(H,24,28)/p+1.
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 386.45 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8010680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).