ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate

C21H19FN2O4 — CID 102106457

IUPACethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(c2ccc(F)cc2)=CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C21H19FN2O4/c1-2-28-21(27)18-12-16(14-8-10-17(22)11-9-14)13-19(25)24(18)23-20(26)15-6-4-3-5-7-15/h3-11,13,18H,2,12H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyUKIQBMGZWUDXTR-GOSISDBHSA-N
MW382.39 g/mol
LogP2.72
Rot. Bonds5

About ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate

ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate (PubChem CID 102106457) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate
PubChem CID102106457
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Nameethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(c2ccc(F)cc2)=CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C21H19FN2O4/c1-2-28-21(27)18-12-16(14-8-10-17(22)11-9-14)13-19(25)24(18)23-20(26)15-6-4-3-5-7-15/h3-11,13,18H,2,12H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyUKIQBMGZWUDXTR-GOSISDBHSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate
CID 132849314
ethyl (1S,6S)-4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 7104570
ethyl 2-(4-fluorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 156702635
ethyl 6-(2-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 3373639
ethyl (2R,3S)-1-benzamido-3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 71581401
ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate
CID 71581369
ethyl (1R,6R)-4-(4-fluorophenyl)-6-(furan-2-yl)-2-oxocyclohex-3-ene-1-carboxylate
CID 41098733
(2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 90423212
ethyl 1-benzoylaziridine-2-carboxylate
CID 121014721
ethyl 2-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate;2-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 162042006
[2-(4-fluorophenyl)-2-oxoethyl] (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 7281656
ethyl (1S,6S)-6-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 7086230

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate (CID 102106457) is ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate is CCOC(=O)[C@H]1CC(c2ccc(F)cc2)=CC(=O)N1NC(=O)c1ccccc1.
What is the InChIKey of ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate?
The InChIKey is UKIQBMGZWUDXTR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-2-28-21(27)18-12-16(14-8-10-17(22)11-9-14)13-19(25)24(18)23-20(26)15-6-4-3-5-7-15/h3-11,13,18H,2,12H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate?
ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate has a molecular weight of 382.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-benzamido-4-(4-fluorophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate is sourced from PubChem (CID 102106457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).