1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide

C18H17F3N2O — CID 66683745

IUPAC1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESNC(=O)C1CCc2ccc(C(F)(F)F)cc2N1Cc1ccccc1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-8-6-13-7-9-15(17(22)24)23(16(13)10-14)11-12-4-2-1-3-5-12/h1-6,8,10,15H,7,9,11H2,(H2,22,24)
InChIKeyCGHCXCJCWROQNF-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.51
Rot. Bonds3

About 1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide

1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 66683745) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID66683745
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESNC(=O)C1CCc2ccc(C(F)(F)F)cc2N1Cc1ccccc1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-8-6-13-7-9-15(17(22)24)23(16(13)10-14)11-12-4-2-1-3-5-12/h1-6,8,10,15H,7,9,11H2,(H2,22,24)
InChIKeyCGHCXCJCWROQNF-UHFFFAOYSA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid
CID 142990229
1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide
CID 173155196
[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid
CID 66684624
2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 17459602
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 121229069
(2S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 66644849
[1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine
CID 151720185
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232682
2-[[2-benzyl-4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176945
2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712238
(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 154724594

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of 1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide (CID 66683745) is 1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for 1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for 1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide is NC(=O)C1CCc2ccc(C(F)(F)F)cc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is CGHCXCJCWROQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)14-8-6-13-7-9-15(17(22)24)23(16(13)10-14)11-12-4-2-1-3-5-12/h1-6,8,10,15H,7,9,11H2,(H2,22,24).
What are the key properties of 1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 66683745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).