N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide

C22H20F3N3O2 — CID 55488501

IUPACN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1cccc2cccnc12
InChIInChI=1S/C22H20F3N3O2/c1-2-28(14-19(29)27-18-11-4-3-10-17(18)22(23,24)25)20(30)13-16-8-5-7-15-9-6-12-26-21(15)16/h3-12H,2,13-14H2,1H3,(H,27,29)
InChIKeyDDUSTTXYZGFGOH-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.28
Rot. Bonds6

About N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide (PubChem CID 55488501) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide
PubChem CID55488501
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1cccc2cccnc12
InChIInChI=1S/C22H20F3N3O2/c1-2-28(14-19(29)27-18-11-4-3-10-17(18)22(23,24)25)20(30)13-16-8-5-7-15-9-6-12-26-21(15)16/h3-12H,2,13-14H2,1H3,(H,27,29)
InChIKeyDDUSTTXYZGFGOH-UHFFFAOYSA-N
XLogP4.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357064
2-(2,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357087
2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9095232
N-ethyl-2-(3-methoxyphenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357194
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
N-ethyl-4-(methylamino)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 119682068
N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 51103434
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7958698
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide (CID 55488501) is N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1cccc2cccnc12.
What is the InChIKey of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide?
The InChIKey is DDUSTTXYZGFGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-2-28(14-19(29)27-18-11-4-3-10-17(18)22(23,24)25)20(30)13-16-8-5-7-15-9-6-12-26-21(15)16/h3-12H,2,13-14H2,1H3,(H,27,29).
What are the key properties of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide?
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide has a molecular weight of 415.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 55488501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).