[2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

C23H19FN2O4 — CID 1410995

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc2ccccc12
InChIInChI=1S/C23H19FN2O4/c24-17-8-10-18(11-9-17)26-13-16(12-22(26)28)23(29)30-14-21(27)25-20-7-3-5-15-4-1-2-6-19(15)20/h1-11,16H,12-14H2,(H,25,27)/t16-/m0/s1
InChIKeyORCCIUPOEUNVRS-INIZCTEOSA-N
MW406.41 g/mol
LogP3.51
Rot. Bonds5

About [2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

[2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 1410995) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID1410995
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc2ccccc12
InChIInChI=1S/C23H19FN2O4/c24-17-8-10-18(11-9-17)26-13-16(12-22(26)28)23(29)30-14-21(27)25-20-7-3-5-15-4-1-2-6-19(15)20/h1-11,16H,12-14H2,(H,25,27)/t16-/m0/s1
InChIKeyORCCIUPOEUNVRS-INIZCTEOSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7263881
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 23996294
[2-(naphthalen-1-ylamino)-2-oxoethyl] (3R)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9170517
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9166789
[2-(4-fluoroanilino)-2-oxoethyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7501170
[2-(4-fluoroanilino)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3879939
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 7323644
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 7279016
[2-oxo-2-(4-phenoxyanilino)ethyl] (3R)-1-(4-naphthalen-1-yloxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 124580240
[2-(2,5-difluoroanilino)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4857838
[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-(4-naphthalen-1-yloxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 124579900
[2-(2-ethoxyanilino)-2-oxoethyl] (3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 29312460

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (CID 1410995) is [2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is ORCCIUPOEUNVRS-INIZCTEOSA-N. The full InChI is InChI=1S/C23H19FN2O4/c24-17-8-10-18(11-9-17)26-13-16(12-22(26)28)23(29)30-14-21(27)25-20-7-3-5-15-4-1-2-6-19(15)20/h1-11,16H,12-14H2,(H,25,27)/t16-/m0/s1.
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 406.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 1410995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).