2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C20H16F6N2O2 — CID 1379548

IUPAC2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESC[C@@H]1C[C@@H](N(C(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)C(F)(F)F
InChIInChI=1S/C20H16F6N2O2/c1-12-11-16(28(18(30)20(24,25)26)13-7-3-2-4-8-13)14-9-5-6-10-15(14)27(12)17(29)19(21,22)23/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1
InChIKeyKCPQVHRXMBHNNK-MLGOLLRUSA-N
MW430.35 g/mol
LogP5.01
Rot. Bonds2

About 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 1379548) has the molecular formula C20H16F6N2O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID1379548
Molecular FormulaC20H16F6N2O2
Molecular Weight430.35 g/mol
Exact Mass430.11
IUPAC Name2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESC[C@@H]1C[C@@H](N(C(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)C(F)(F)F
InChIInChI=1S/C20H16F6N2O2/c1-12-11-16(28(18(30)20(24,25)26)13-7-3-2-4-8-13)14-9-5-6-10-15(14)27(12)17(29)19(21,22)23/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1
InChIKeyKCPQVHRXMBHNNK-MLGOLLRUSA-N
XLogP5.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide with MolForge

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Related Compounds

N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 6581246
N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 7299352
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 1100225
N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide
CID 1116791
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-fluoro-N-phenylbenzamide
CID 1205542
3-(N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-3-oxopropanoic acid
CID 69427262
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol
CID 142882860
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpentanamide
CID 6581067
N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide
CID 92508835
N-[2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 5290618

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 1379548) is 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is C[C@@H]1C[C@@H](N(C(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is KCPQVHRXMBHNNK-MLGOLLRUSA-N. The full InChI is InChI=1S/C20H16F6N2O2/c1-12-11-16(28(18(30)20(24,25)26)13-7-3-2-4-8-13)14-9-5-6-10-15(14)27(12)17(29)19(21,22)23/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 430.35 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 1379548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).