[2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium

C19H22F2N3O2+ — CID 9253030

IUPAC[2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
SMILESCN(Cc1ccc(F)cc1)C(=O)C[NH+](C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H21F2N3O2/c1-23(12-18(25)22-17-9-7-16(21)8-10-17)13-19(26)24(2)11-14-3-5-15(20)6-4-14/h3-10H,11-13H2,1-2H3,(H,22,25)/p+1
InChIKeyKXVOYKMFNYHVCS-UHFFFAOYSA-O
MW362.40 g/mol
LogP1.08
Rot. Bonds7

About [2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium

[2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium (PubChem CID 9253030) has the molecular formula C19H22F2N3O2+ and a molecular weight of 362.40 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
PubChem CID9253030
Molecular FormulaC19H22F2N3O2+
Molecular Weight362.40 g/mol
Exact Mass362.17
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
SMILESCN(Cc1ccc(F)cc1)C(=O)C[NH+](C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H21F2N3O2/c1-23(12-18(25)22-17-9-7-16(21)8-10-17)13-19(26)24(2)11-14-3-5-15(20)6-4-14/h3-10H,11-13H2,1-2H3,(H,22,25)/p+1
InChIKeyKXVOYKMFNYHVCS-UHFFFAOYSA-O
XLogP1.08
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785660
[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588781
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250367
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253430
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040901
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 9348195
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221977
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium
CID 9287627
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 9252800
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
[2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium
CID 8712032
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 7999133

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium (CID 9253030) is [2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium is CN(Cc1ccc(F)cc1)C(=O)C[NH+](C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is KXVOYKMFNYHVCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21F2N3O2/c1-23(12-18(25)22-17-9-7-16(21)8-10-17)13-19(26)24(2)11-14-3-5-15(20)6-4-14/h3-10H,11-13H2,1-2H3,(H,22,25)/p+1.
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
[2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 362.40 g/mol, XLogP of 1.08, 7 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]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9253030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).