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

C20H16F6N2O2 — CID 2843959

IUPAC2,2,2-trifluoro-N-[2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC1CC(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
InChIKeyKCPQVHRXMBHNNK-UHFFFAOYSA-N
MW430.35 g/mol
LogP5.01
Rot. Bonds2

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

2,2,2-trifluoro-N-[2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 2843959) has the molecular formula C20H16F6N2O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID2843959
Molecular FormulaC20H16F6N2O2
Molecular Weight430.35 g/mol
Exact Mass430.11
IUPAC Name2,2,2-trifluoro-N-[2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC1CC(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
InChIKeyKCPQVHRXMBHNNK-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[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-[2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 2843959) is 2,2,2-trifluoro-N-[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-[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-[2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC1CC(N(C(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is KCPQVHRXMBHNNK-UHFFFAOYSA-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.
What are the key properties of 2,2,2-trifluoro-N-[2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
2,2,2-trifluoro-N-[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-[2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 2843959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).