ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate

C24H22F4N2O4 — CID 42761336

IUPACethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)Nc2ccccc2F)C(=O)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H22F4N2O4/c1-3-34-23(33)22-14(2)30(13-20(31)29-19-7-5-4-6-18(19)25)21(32)12-17(22)15-8-10-16(11-9-15)24(26,27)28/h4-11,17H,3,12-13H2,1-2H3,(H,29,31)
InChIKeyGIZYESJFDUFGKU-UHFFFAOYSA-N
MW478.44 g/mol
LogP4.64
Rot. Bonds6

About ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate

ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate (PubChem CID 42761336) has the molecular formula C24H22F4N2O4 and a molecular weight of 478.44 g/mol. Its IUPAC name is ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
PubChem CID42761336
Molecular FormulaC24H22F4N2O4
Molecular Weight478.44 g/mol
Exact Mass478.15
IUPAC Nameethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)Nc2ccccc2F)C(=O)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H22F4N2O4/c1-3-34-23(33)22-14(2)30(13-20(31)29-19-7-5-4-6-18(19)25)21(32)12-17(22)15-8-10-16(11-9-15)24(26,27)28/h4-11,17H,3,12-13H2,1-2H3,(H,29,31)
InChIKeyGIZYESJFDUFGKU-UHFFFAOYSA-N
XLogP4.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-methyl-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42761348
ethyl 6-methyl-2-oxo-1-[[4-(2-phenylethylcarbamoyl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42662669
ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 7297585
benzyl 1-[(2,3-difluorophenyl)methyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42854117
ethyl 1-[[3-[(4-fluorophenyl)carbamoyl]phenyl]methyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42662646
ethyl 4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4003631
ethyl (4S)-4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7283283
ethyl (4R)-6-methyl-2-oxo-1-[[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 98426825
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761268
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761267
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 4015823
ethyl 1-[2-(butylamino)-2-oxoethyl]-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761264

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate (CID 42761336) is ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(CC(=O)Nc2ccccc2F)C(=O)CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate?
The InChIKey is GIZYESJFDUFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O4/c1-3-34-23(33)22-14(2)30(13-20(31)29-19-7-5-4-6-18(19)25)21(32)12-17(22)15-8-10-16(11-9-15)24(26,27)28/h4-11,17H,3,12-13H2,1-2H3,(H,29,31).
What are the key properties of ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate?
ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate has a molecular weight of 478.44 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42761336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).