2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide

C104H96F4N6O18 — CID 169429745

About 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 169429745) has the molecular formula C104H96F4N6O18 and a molecular weight of 1793.93 g/mol. Its IUPAC name is 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 169429745
• Molecular Formula: C104H96F4N6O18
• Molecular Weight: 1793.93 g/mol
• Exact Mass: 1792.67
• IUPAC Name: 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
• SMILES: CC1=C(CC(=O)NCc2ccco2)c2cc(F)ccc2/C1=C\c1cc(O)c2c(c1)OCO2.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccc[nH]3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cccn3C)c3cc(F)ccc32)cc(OC)c1O.COc1ccc2c(c1)C(CC(=O)NCc1ccco1)=C(C)/C2=C/c1cc(F)c(O)c(OC)c1
• InChI: InChI=1S/C27H27FN2O4.C26H25FN2O4.C26H24FNO5.C25H20FNO5/c1-16-21(10-17-11-24(33-3)27(32)25(12-17)34-4)20-8-7-18(28)13-23(20)22(16)14-26(31)29-15-19-6-5-9-30(19)2;1-15-20(9-16-10-23(32-2)26(31)24(11-16)33-3)19-7-6-17(27)12-22(19)21(15)13-25(30)29-14-18-5-4-8-28-18;1-15-20(9-16-10-23(27)26(30)24(11-16)32-3)19-7-6-17(31-2)12-22(19)21(15)13-25(29)28-14-18-5-4-8-33-18;1-14-19(7-15-8-22(28)25-23(9-15)31-13-32-25)18-5-4-16(26)10-21(18)20(14)11-24(29)27-12-17-3-2-6-30-17/h5-13,32H,14-15H2,1-4H3,(H,29,31);4-12,28,31H,13-14H2,1-3H3,(H,29,30);4-12,30H,13-14H2,1-3H3,(H,28,29);2-10,28H,11-13H2,1H3,(H,27,29)/b21-10-;2*20-9-;19-7-
• InChIKey: SBCVTCLOFHOCJH-VWCVWMBOSA-N
• XLogP: 19.89
• TPSA: 318.16 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1793.93
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 169429745) is 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide is CC1=C(CC(=O)NCc2ccco2)c2cc(F)ccc2/C1=C\c1cc(O)c2c(c1)OCO2.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccc[nH]3)c3cc(F)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cccn3C)c3cc(F)ccc32)cc(OC)c1O.COc1ccc2c(c1)C(CC(=O)NCc1ccco1)=C(C)/C2=C/c1cc(F)c(O)c(OC)c1.

What is the InChIKey of 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?

The InChIKey is SBCVTCLOFHOCJH-VWCVWMBOSA-N. The full InChI is InChI=1S/C27H27FN2O4.C26H25FN2O4.C26H24FNO5.C25H20FNO5/c1-16-21(10-17-11-24(33-3)27(32)25(12-17)34-4)20-8-7-18(28)13-23(20)22(16)14-26(31)29-15-19-6-5-9-30(19)2;1-15-20(9-16-10-23(32-2)26(31)24(11-16)33-3)19-7-6-17(27)12-22(19)21(15)13-25(30)29-14-18-5-4-8-28-18;1-15-20(9-16-10-23(27)26(30)24(11-16)32-3)19-7-6-17(31-2)12-22(19)21(15)13-25(29)28-14-18-5-4-8-33-18;1-14-19(7-15-8-22(28)25-23(9-15)31-13-32-25)18-5-4-16(26)10-21(18)20(14)11-24(29)27-12-17-3-2-6-30-17/h5-13,32H,14-15H2,1-4H3,(H,29,31);4-12,28,31H,13-14H2,1-3H3,(H,29,30);4-12,30H,13-14H2,1-3H3,(H,28,29);2-10,28H,11-13H2,1H3,(H,27,29)/b21-10-;2*20-9-;19-7-.

What are the key properties of 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?

2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 1793.93 g/mol, XLogP of 19.89, 26 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3Z)-6-fluoro-3-[(7-hydroxy-1,3-benzodioxol-5-yl)methylidene]-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide;2-[(3Z)-3-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 169429745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).