(2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one

C112H107F3N6O14 — CID 158127606

IUPAC(2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one
SMILESCOc1cccc(COC2=CC(=O)N[C@H]2Cc2ccccc2)c1OC.Cc1ccc(COC2=CC(=O)N[C@H]2Cc2ccccc2)cc1.Cc1ccccc1COC1=CC(=O)N[C@H]1Cc1ccccc1.O=C1C=C(OCc2ccc(F)cc2)[C@H](Cc2ccccc2)N1.O=C1C=C(OCc2cccc(F)c2)[C@H](Cc2ccccc2)N1.O=C1C=C(OCc2ccccc2F)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C20H21NO4.2C19H19NO2.3C18H16FNO2/c1-23-17-10-6-9-15(20(17)24-2)13-25-18-12-19(22)21-16(18)11-14-7-4-3-5-8-14;1-14-7-5-6-10-16(14)13-22-18-12-19(21)20-17(18)11-15-8-3-2-4-9-15;1-14-7-9-16(10-8-14)13-22-18-12-19(21)20-17(18)11-15-5-3-2-4-6-15;19-15-9-5-4-8-14(15)12-22-17-11-18(21)20-16(17)10-13-6-2-1-3-7-13;19-15-8-4-7-14(9-15)12-22-17-11-18(21)20-16(17)10-13-5-2-1-3-6-13;19-15-8-6-14(7-9-15)12-22-17-11-18(21)20-16(17)10-13-4-2-1-3-5-13/h3-10,12,16H,11,13H2,1-2H3,(H,21,22);2*2-10,12,17H,11,13H2,1H3,(H,20,21);3*1-9,11,16H,10,12H2,(H,20,21)/t16-;2*17-;3*16-/m000000/s1
InChIKeyFSJLNPBKWYXJAE-OIZJPTJJSA-N
MW1818.11 g/mol
LogP18.02
Rot. Bonds32

About (2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one

(2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one (PubChem CID 158127606) has the molecular formula C112H107F3N6O14 and a molecular weight of 1818.11 g/mol. Its IUPAC name is (2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one
PubChem CID158127606
Molecular FormulaC112H107F3N6O14
Molecular Weight1818.11 g/mol
Exact Mass1816.78
IUPAC Name(2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one
SMILESCOc1cccc(COC2=CC(=O)N[C@H]2Cc2ccccc2)c1OC.Cc1ccc(COC2=CC(=O)N[C@H]2Cc2ccccc2)cc1.Cc1ccccc1COC1=CC(=O)N[C@H]1Cc1ccccc1.O=C1C=C(OCc2ccc(F)cc2)[C@H](Cc2ccccc2)N1.O=C1C=C(OCc2cccc(F)c2)[C@H](Cc2ccccc2)N1.O=C1C=C(OCc2ccccc2F)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C20H21NO4.2C19H19NO2.3C18H16FNO2/c1-23-17-10-6-9-15(20(17)24-2)13-25-18-12-19(22)21-16(18)11-14-7-4-3-5-8-14;1-14-7-5-6-10-16(14)13-22-18-12-19(21)20-17(18)11-15-8-3-2-4-9-15;1-14-7-9-16(10-8-14)13-22-18-12-19(21)20-17(18)11-15-5-3-2-4-6-15;19-15-9-5-4-8-14(15)12-22-17-11-18(21)20-16(17)10-13-6-2-1-3-7-13;19-15-8-4-7-14(9-15)12-22-17-11-18(21)20-16(17)10-13-5-2-1-3-6-13;19-15-8-6-14(7-9-15)12-22-17-11-18(21)20-16(17)10-13-4-2-1-3-5-13/h3-10,12,16H,11,13H2,1-2H3,(H,21,22);2*2-10,12,17H,11,13H2,1H3,(H,20,21);3*1-9,11,16H,10,12H2,(H,20,21)/t16-;2*17-;3*16-/m000000/s1
InChIKeyFSJLNPBKWYXJAE-OIZJPTJJSA-N
XLogP18.02
TPSA248.44 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001818.11
LogP ≤ 518.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze (2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one (CID 158127606) is (2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one is COc1cccc(COC2=CC(=O)N[C@H]2Cc2ccccc2)c1OC.Cc1ccc(COC2=CC(=O)N[C@H]2Cc2ccccc2)cc1.Cc1ccccc1COC1=CC(=O)N[C@H]1Cc1ccccc1.O=C1C=C(OCc2ccc(F)cc2)[C@H](Cc2ccccc2)N1.O=C1C=C(OCc2cccc(F)c2)[C@H](Cc2ccccc2)N1.O=C1C=C(OCc2ccccc2F)[C@H](Cc2ccccc2)N1.
What is the InChIKey of (2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one?
The InChIKey is FSJLNPBKWYXJAE-OIZJPTJJSA-N. The full InChI is InChI=1S/C20H21NO4.2C19H19NO2.3C18H16FNO2/c1-23-17-10-6-9-15(20(17)24-2)13-25-18-12-19(22)21-16(18)11-14-7-4-3-5-8-14;1-14-7-5-6-10-16(14)13-22-18-12-19(21)20-17(18)11-15-8-3-2-4-9-15;1-14-7-9-16(10-8-14)13-22-18-12-19(21)20-17(18)11-15-5-3-2-4-6-15;19-15-9-5-4-8-14(15)12-22-17-11-18(21)20-16(17)10-13-6-2-1-3-7-13;19-15-8-4-7-14(9-15)12-22-17-11-18(21)20-16(17)10-13-5-2-1-3-6-13;19-15-8-6-14(7-9-15)12-22-17-11-18(21)20-16(17)10-13-4-2-1-3-5-13/h3-10,12,16H,11,13H2,1-2H3,(H,21,22);2*2-10,12,17H,11,13H2,1H3,(H,20,21);3*1-9,11,16H,10,12H2,(H,20,21)/t16-;2*17-;3*16-/m000000/s1.
What are the key properties of (2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one?
(2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one has a molecular weight of 1818.11 g/mol, XLogP of 18.02, 32 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 158127606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).