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

C19H20ClF3N3O2+ — CID 2506879

IUPAC[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19ClF3N3O2/c1-2-26(12-18(28)25-16-10-6-4-8-14(16)20)11-17(27)24-15-9-5-3-7-13(15)19(21,22)23/h3-10H,2,11-12H2,1H3,(H,24,27)(H,25,28)/p+1
InChIKeyCBGCNZRCYPASGE-UHFFFAOYSA-O
MW414.84 g/mol
LogP2.84
Rot. Bonds7

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

[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (PubChem CID 2506879) has the molecular formula C19H20ClF3N3O2+ and a molecular weight of 414.84 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
PubChem CID2506879
Molecular FormulaC19H20ClF3N3O2+
Molecular Weight414.84 g/mol
Exact Mass414.12
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19ClF3N3O2/c1-2-26(12-18(28)25-16-10-6-4-8-14(16)20)11-17(27)24-15-9-5-3-7-13(15)19(21,22)23/h3-10H,2,11-12H2,1H3,(H,24,27)(H,25,28)/p+1
InChIKeyCBGCNZRCYPASGE-UHFFFAOYSA-O
XLogP2.84
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.84
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium with MolForge

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Related Compounds

(2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9031029
ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2580437
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 9036328
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286490
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029622
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
benzhydryl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2461411
[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

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (CID 2506879) is [2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is CC[NH+](CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The InChIKey is CBGCNZRCYPASGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClF3N3O2/c1-2-26(12-18(28)25-16-10-6-4-8-14(16)20)11-17(27)24-15-9-5-3-7-13(15)19(21,22)23/h3-10H,2,11-12H2,1H3,(H,24,27)(H,25,28)/p+1.
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium has a molecular weight of 414.84 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is sourced from PubChem (CID 2506879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).