ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

C23H23F3N3O2+ — CID 2580437

IUPACethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H22F3N3O2/c1-2-29(15-22(31)28-20-12-6-5-11-18(20)23(24,25)26)14-21(30)27-19-13-7-9-16-8-3-4-10-17(16)19/h3-13H,2,14-15H2,1H3,(H,27,30)(H,28,31)/p+1
InChIKeyFLMWWAGWXUGUQG-UHFFFAOYSA-O
MW430.45 g/mol
LogP3.34
Rot. Bonds7

About ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (PubChem CID 2580437) has the molecular formula C23H23F3N3O2+ and a molecular weight of 430.45 g/mol. Its IUPAC name is ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
PubChem CID2580437
Molecular FormulaC23H23F3N3O2+
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC Nameethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H22F3N3O2/c1-2-29(15-22(31)28-20-12-6-5-11-18(20)23(24,25)26)14-21(30)27-19-13-7-9-16-8-3-4-10-17(16)19/h3-13H,2,14-15H2,1H3,(H,27,30)(H,28,31)/p+1
InChIKeyFLMWWAGWXUGUQG-UHFFFAOYSA-O
XLogP3.34
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9031029
[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2506879
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9261664
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
[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
benzhydryl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2461411
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The IUPAC name of ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (CID 2580437) is ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.
What is the SMILES notation for ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The canonical SMILES for ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is CC[NH+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The InChIKey is FLMWWAGWXUGUQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H22F3N3O2/c1-2-29(15-22(31)28-20-12-6-5-11-18(20)23(24,25)26)14-21(30)27-19-13-7-9-16-8-3-4-10-17(16)19/h3-13H,2,14-15H2,1H3,(H,27,30)(H,28,31)/p+1.
What are the key properties of ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium has a molecular weight of 430.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is sourced from PubChem (CID 2580437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).