4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide

C26H22F4N2O2 — CID 159659623

IUPAC4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H22F4N2O2/c1-16(31-24(33)17-7-10-22(27)11-8-17)18-9-12-23-19(14-18)5-3-13-32(23)25(34)20-4-2-6-21(15-20)26(28,29)30/h2,4,6-12,14-16H,3,5,13H2,1H3,(H,31,33)
InChIKeyMSQBOOIGKHJRAW-UHFFFAOYSA-N
MW470.47 g/mol
LogP5.93
Rot. Bonds4

About 4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide

4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide (PubChem CID 159659623) has the molecular formula C26H22F4N2O2 and a molecular weight of 470.47 g/mol. Its IUPAC name is 4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide
PubChem CID159659623
Molecular FormulaC26H22F4N2O2
Molecular Weight470.47 g/mol
Exact Mass470.16
IUPAC Name4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H22F4N2O2/c1-16(31-24(33)17-7-10-22(27)11-8-17)18-9-12-23-19(14-18)5-3-13-32(23)25(34)20-4-2-6-21(15-20)26(28,29)30/h2,4,6-12,14-16H,3,5,13H2,1H3,(H,31,33)
InChIKeyMSQBOOIGKHJRAW-UHFFFAOYSA-N
XLogP5.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide;2,2,2-trifluoroacetate
CID 159659622
N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 132664986
N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide
CID 175217591
4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580553
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 31845243
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148983
1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea
CID 52724176
2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 55670463
(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202
1-benzoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247827

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide (CID 159659623) is 4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide is CC(NC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide?
The InChIKey is MSQBOOIGKHJRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N2O2/c1-16(31-24(33)17-7-10-22(27)11-8-17)18-9-12-23-19(14-18)5-3-13-32(23)25(34)20-4-2-6-21(15-20)26(28,29)30/h2,4,6-12,14-16H,3,5,13H2,1H3,(H,31,33).
What are the key properties of 4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide?
4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide has a molecular weight of 470.47 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide is sourced from PubChem (CID 159659623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).