(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

C18H19F3N3O3+ — CID 9366572

IUPAC(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O3/c1-24(11-16(25)22-13-5-3-2-4-6-13)12-17(26)23-14-7-9-15(10-8-14)27-18(19,20)21/h2-10H,11-12H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyUNWMIOUFQDXGLS-UHFFFAOYSA-O
MW382.36 g/mol
LogP1.68
Rot. Bonds7

About (2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (PubChem CID 9366572) has the molecular formula C18H19F3N3O3+ and a molecular weight of 382.36 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
PubChem CID9366572
Molecular FormulaC18H19F3N3O3+
Molecular Weight382.36 g/mol
Exact Mass382.14
IUPAC Name(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O3/c1-24(11-16(25)22-13-5-3-2-4-6-13)12-17(26)23-14-7-9-15(10-8-14)27-18(19,20)21/h2-10H,11-12H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyUNWMIOUFQDXGLS-UHFFFAOYSA-O
XLogP1.68
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium with MolForge

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Related Compounds

[2-(methoxycarbonylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366371
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366621
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366798
[2-(azocan-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8642357
methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366235
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9102772
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8642492
methyl-[(4-nitrophenyl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366427
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 7999133
methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8001225
methyl-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8001223
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The IUPAC name of (2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (CID 9366572) is (2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.
What is the SMILES notation for (2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The canonical SMILES for (2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is C[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The InChIKey is UNWMIOUFQDXGLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18F3N3O3/c1-24(11-16(25)22-13-5-3-2-4-6-13)12-17(26)23-14-7-9-15(10-8-14)27-18(19,20)21/h2-10H,11-12H2,1H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of (2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium has a molecular weight of 382.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is sourced from PubChem (CID 9366572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).