2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide

C22H22ClF3N2O2 — CID 55581715

IUPAC2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1Cl)C(=O)N1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H22ClF3N2O2/c1-13(2)19(27-20(29)16-7-3-4-8-17(16)23)21(30)28-11-5-6-14-12-15(22(24,25)26)9-10-18(14)28/h3-4,7-10,12-13,19H,5-6,11H2,1-2H3,(H,27,29)
InChIKeyZLJNBKGAMUSJBS-UHFFFAOYSA-N
MW438.88 g/mol
LogP5.09
Rot. Bonds4

About 2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide

2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide (PubChem CID 55581715) has the molecular formula C22H22ClF3N2O2 and a molecular weight of 438.88 g/mol. Its IUPAC name is 2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide
PubChem CID55581715
Molecular FormulaC22H22ClF3N2O2
Molecular Weight438.88 g/mol
Exact Mass438.13
IUPAC Name2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1Cl)C(=O)N1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H22ClF3N2O2/c1-13(2)19(27-20(29)16-7-3-4-8-17(16)23)21(30)28-11-5-6-14-12-15(22(24,25)26)9-10-18(14)28/h3-4,7-10,12-13,19H,5-6,11H2,1-2H3,(H,27,29)
InChIKeyZLJNBKGAMUSJBS-UHFFFAOYSA-N
XLogP5.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.88
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide 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

methyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-2,3-dihydroindole-5-carboxylate
CID 55514242
2-chloro-N-[1-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 154740475
N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide
CID 55671808
2-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 119415950
(2S)-1-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-phenylpropan-1-one
CID 16659899
2-chloro-N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55969914
2-chloro-N-[3-methyl-1-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]butan-2-yl]benzamide
CID 55328923
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide;hydrochloride
CID 119594366
1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251591
4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 112762141
2-chloro-N-[1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 87029935
2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 74645893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide (CID 55581715) is 2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1Cl)C(=O)N1CCCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide?
The InChIKey is ZLJNBKGAMUSJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N2O2/c1-13(2)19(27-20(29)16-7-3-4-8-17(16)23)21(30)28-11-5-6-14-12-15(22(24,25)26)9-10-18(14)28/h3-4,7-10,12-13,19H,5-6,11H2,1-2H3,(H,27,29).
What are the key properties of 2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide?
2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide has a molecular weight of 438.88 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-methyl-1-oxo-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]benzamide is sourced from PubChem (CID 55581715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).