N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide

C20H25F3N2O2 — CID 78344231

IUPACN-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC1CCC2CC(CCNC(=O)c3ccc(C(F)(F)F)cc3)C(=O)NC2C1
InChIInChI=1S/C20H25F3N2O2/c1-12-2-3-14-11-15(19(27)25-17(14)10-12)8-9-24-18(26)13-4-6-16(7-5-13)20(21,22)23/h4-7,12,14-15,17H,2-3,8-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyPEQFQONRNBHCOJ-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.77
Rot. Bonds4

About N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 78344231) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID78344231
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC NameN-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC1CCC2CC(CCNC(=O)c3ccc(C(F)(F)F)cc3)C(=O)NC2C1
InChIInChI=1S/C20H25F3N2O2/c1-12-2-3-14-11-15(19(27)25-17(14)10-12)8-9-24-18(26)13-4-6-16(7-5-13)20(21,22)23/h4-7,12,14-15,17H,2-3,8-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyPEQFQONRNBHCOJ-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide
CID 78342584
5-chloro-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-2-nitrobenzamide
CID 78444062
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113065137
N-[(3S,7S,8aS)-1,4-dioxo-3-propyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-4-(trifluoromethyl)benzamide
CID 56859454
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880469
4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 155257067
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 78344231) is N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide is CC1CCC2CC(CCNC(=O)c3ccc(C(F)(F)F)cc3)C(=O)NC2C1.
What is the InChIKey of N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is PEQFQONRNBHCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c1-12-2-3-14-11-15(19(27)25-17(14)10-12)8-9-24-18(26)13-4-6-16(7-5-13)20(21,22)23/h4-7,12,14-15,17H,2-3,8-11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 382.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 78344231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).