2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide

C21H20ClF3N2O2 — CID 162114176

IUPAC2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide
SMILESNC(=O)CC1CCC(C(=O)CCc2cccc(C(F)(F)F)c2Cl)c2cccnc21
InChIInChI=1S/C21H20ClF3N2O2/c22-19-12(3-1-5-16(19)21(23,24)25)7-9-17(28)14-8-6-13(11-18(26)29)20-15(14)4-2-10-27-20/h1-5,10,13-14H,6-9,11H2,(H2,26,29)
InChIKeyZGNXMMRXOUTUKB-UHFFFAOYSA-N
MW424.85 g/mol
LogP4.79
Rot. Bonds6

About 2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide

2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide (PubChem CID 162114176) has the molecular formula C21H20ClF3N2O2 and a molecular weight of 424.85 g/mol. Its IUPAC name is 2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide.

Molecular Properties

Compound Name2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide
PubChem CID162114176
Molecular FormulaC21H20ClF3N2O2
Molecular Weight424.85 g/mol
Exact Mass424.12
IUPAC Name2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide
SMILESNC(=O)CC1CCC(C(=O)CCc2cccc(C(F)(F)F)c2Cl)c2cccnc21
InChIInChI=1S/C21H20ClF3N2O2/c22-19-12(3-1-5-16(19)21(23,24)25)7-9-17(28)14-8-6-13(11-18(26)29)20-15(14)4-2-10-27-20/h1-5,10,13-14H,6-9,11H2,(H2,26,29)
InChIKeyZGNXMMRXOUTUKB-UHFFFAOYSA-N
XLogP4.79
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.85
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[5-[[2-chloro-3-(trifluoromethyl)phenyl]methylcarbamoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetate
CID 155433549
3-(2-chloro-4-fluorophenyl)-1-[(5S,8R)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]propan-1-one
CID 161496659
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429464
1-[(5S,8R)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]-3-(2,3,4-trifluorophenyl)propan-1-one
CID 158660839
1-[(5S,8S)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]-3-(2,3,4-trifluorophenyl)propan-1-one
CID 158660838
1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidin-1-ium-4-carboxamide
CID 90718605
5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one
CID 158854009
3-(4-bromo-2-fluorophenyl)-1-[(5R,8S)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]propan-1-one
CID 159318532
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;pyridine-4-carboxamide
CID 174687552
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-fluoro-8-hydroxy-8-methyl-6,7-dihydroquinoline-5-carboxamide
CID 135331605
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 83295681
2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide
CID 141070718

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide?
The IUPAC name of 2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide (CID 162114176) is 2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide.
What is the SMILES notation for 2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide?
The canonical SMILES for 2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide is NC(=O)CC1CCC(C(=O)CCc2cccc(C(F)(F)F)c2Cl)c2cccnc21.
What is the InChIKey of 2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide?
The InChIKey is ZGNXMMRXOUTUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N2O2/c22-19-12(3-1-5-16(19)21(23,24)25)7-9-17(28)14-8-6-13(11-18(26)29)20-15(14)4-2-10-27-20/h1-5,10,13-14H,6-9,11H2,(H2,26,29).
What are the key properties of 2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide?
2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide has a molecular weight of 424.85 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide is sourced from PubChem (CID 162114176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).