(2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

C19H21F3N3O2+ — CID 9031029

IUPAC(2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O2/c1-2-25(12-17(26)23-14-8-4-3-5-9-14)13-18(27)24-16-11-7-6-10-15(16)19(20,21)22/h3-11H,2,12-13H2,1H3,(H,23,26)(H,24,27)/p+1
InChIKeyRECUITOCKAHPQK-UHFFFAOYSA-O
MW380.39 g/mol
LogP2.19
Rot. Bonds7

About (2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

(2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (PubChem CID 9031029) has the molecular formula C19H21F3N3O2+ and a molecular weight of 380.39 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
PubChem CID9031029
Molecular FormulaC19H21F3N3O2+
Molecular Weight380.39 g/mol
Exact Mass380.16
IUPAC Name(2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O2/c1-2-25(12-17(26)23-14-8-4-3-5-9-14)13-18(27)24-16-11-7-6-10-15(16)19(20,21)22/h3-11H,2,12-13H2,1H3,(H,23,26)(H,24,27)/p+1
InChIKeyRECUITOCKAHPQK-UHFFFAOYSA-O
XLogP2.19
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2506879
ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2580437
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
benzhydryl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2461411
3-[octyl-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]amino]-N-phenylpropanamide
CID 155547152
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9222103
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9288015
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286490
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The IUPAC name of (2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (CID 9031029) is (2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.
What is the SMILES notation for (2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The canonical SMILES for (2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is CC[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The InChIKey is RECUITOCKAHPQK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20F3N3O2/c1-2-25(12-17(26)23-14-8-4-3-5-9-14)13-18(27)24-16-11-7-6-10-15(16)19(20,21)22/h3-11H,2,12-13H2,1H3,(H,23,26)(H,24,27)/p+1.
What are the key properties of (2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
(2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium has a molecular weight of 380.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is sourced from PubChem (CID 9031029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).