[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium

C17H15F5N3O2+ — CID 9197775

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H14F5N3O2/c1-25(7-14(26)23-9-2-3-10(18)12(20)6-9)8-15(27)24-13-5-4-11(19)16(21)17(13)22/h2-6H,7-8H2,1H3,(H,23,26)(H,24,27)/p+1
InChIKeyOJFRPJRIKRFYIA-UHFFFAOYSA-O
MW388.32 g/mol
LogP1.47
Rot. Bonds6

About [2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium

[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium (PubChem CID 9197775) has the molecular formula C17H15F5N3O2+ and a molecular weight of 388.32 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
PubChem CID9197775
Molecular FormulaC17H15F5N3O2+
Molecular Weight388.32 g/mol
Exact Mass388.11
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H14F5N3O2/c1-25(7-14(26)23-9-2-3-10(18)12(20)6-9)8-15(27)24-13-5-4-11(19)16(21)17(13)22/h2-6H,7-8H2,1H3,(H,23,26)(H,24,27)/p+1
InChIKeyOJFRPJRIKRFYIA-UHFFFAOYSA-O
XLogP1.47
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197745
[2-(3-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197881
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 2657991
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197933
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197762
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970179
(4,6-diamino-1,3,5-triazin-2-yl)methyl-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9043075
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylazanium
CID 2698581
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
[2-(2,4-difluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2658603
[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102886
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250684

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium (CID 9197775) is [2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium is C[NH+](CC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
The InChIKey is OJFRPJRIKRFYIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H14F5N3O2/c1-25(7-14(26)23-9-2-3-10(18)12(20)6-9)8-15(27)24-13-5-4-11(19)16(21)17(13)22/h2-6H,7-8H2,1H3,(H,23,26)(H,24,27)/p+1.
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium has a molecular weight of 388.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium is sourced from PubChem (CID 9197775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).