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

C25H27FN3O2+ — CID 9465124

IUPACethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26FN3O2/c1-2-29(17-24(30)27-16-19-8-12-22(26)13-9-19)18-25(31)28-23-14-10-21(11-15-23)20-6-4-3-5-7-20/h3-15H,2,16-18H2,1H3,(H,27,30)(H,28,31)/p+1
InChIKeyLQBOOABYQDOOTO-UHFFFAOYSA-O
MW420.51 g/mol
LogP2.65
Rot. Bonds9

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

ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium (PubChem CID 9465124) has the molecular formula C25H27FN3O2+ and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
PubChem CID9465124
Molecular FormulaC25H27FN3O2+
Molecular Weight420.51 g/mol
Exact Mass420.21
IUPAC Nameethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26FN3O2/c1-2-29(17-24(30)27-16-19-8-12-22(26)13-9-19)18-25(31)28-23-14-10-21(11-15-23)20-6-4-3-5-7-20/h3-15H,2,16-18H2,1H3,(H,27,30)(H,28,31)/p+1
InChIKeyLQBOOABYQDOOTO-UHFFFAOYSA-O
XLogP2.65
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8010680
[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-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9039158
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
ethyl-[2-(4-ethylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906112
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025698
[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907146
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
The IUPAC name of ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium (CID 9465124) is ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium.
What is the SMILES notation for ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
The canonical SMILES for ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium is CC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
The InChIKey is LQBOOABYQDOOTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H26FN3O2/c1-2-29(17-24(30)27-16-19-8-12-22(26)13-9-19)18-25(31)28-23-14-10-21(11-15-23)20-6-4-3-5-7-20/h3-15H,2,16-18H2,1H3,(H,27,30)(H,28,31)/p+1.
What are the key properties of ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium has a molecular weight of 420.51 g/mol, XLogP of 2.65, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium is sourced from PubChem (CID 9465124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).