N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide

C73H62F12N4O14S — CID 163839468

IUPACN-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCC1=C(CC(=O)NCC2OCCO2)c2cc(F)ccc2/C1=C\c1ccc(O)c(OC(F)(F)F)c1.CC1=C(CC(=O)NCc2cscn2)c2cc(F)ccc2/C1=C\c1ccc(O)c(OC(F)(F)F)c1.COc1cc(/C=C2/C(C)=C(CC(=O)NCC3OCCO3)c3cc(F)ccc32)cc(OC(F)(F)F)c1O
InChIInChI=1S/C25H23F4NO6.C24H18F4N2O3S.C24H21F4NO5/c1-13-17(7-14-8-20(33-2)24(32)21(9-14)36-25(27,28)29)16-4-3-15(26)10-19(16)18(13)11-22(31)30-12-23-34-5-6-35-23;1-13-18(6-14-2-5-21(31)22(7-14)33-24(26,27)28)17-4-3-15(25)8-20(17)19(13)9-23(32)29-10-16-11-34-12-30-16;1-13-17(8-14-2-5-20(30)21(9-14)34-24(26,27)28)16-4-3-15(25)10-19(16)18(13)11-22(31)29-12-23-32-6-7-33-23/h3-4,7-10,23,32H,5-6,11-12H2,1-2H3,(H,30,31);2-8,11-12,31H,9-10H2,1H3,(H,29,32);2-5,8-10,23,30H,6-7,11-12H2,1H3,(H,29,31)/b17-7-;18-6-;17-8-
InChIKeyOKQWZVJREYEQSR-XKFMABHQSA-N
MW1479.36 g/mol
LogP15.20
Rot. Bonds19

About N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide

N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide (PubChem CID 163839468) has the molecular formula C73H62F12N4O14S and a molecular weight of 1479.36 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide
PubChem CID163839468
Molecular FormulaC73H62F12N4O14S
Molecular Weight1479.36 g/mol
Exact Mass1478.38
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCC1=C(CC(=O)NCC2OCCO2)c2cc(F)ccc2/C1=C\c1ccc(O)c(OC(F)(F)F)c1.CC1=C(CC(=O)NCc2cscn2)c2cc(F)ccc2/C1=C\c1ccc(O)c(OC(F)(F)F)c1.COc1cc(/C=C2/C(C)=C(CC(=O)NCC3OCCO3)c3cc(F)ccc32)cc(OC(F)(F)F)c1O
InChIInChI=1S/C25H23F4NO6.C24H18F4N2O3S.C24H21F4NO5/c1-13-17(7-14-8-20(33-2)24(32)21(9-14)36-25(27,28)29)16-4-3-15(26)10-19(16)18(13)11-22(31)30-12-23-34-5-6-35-23;1-13-18(6-14-2-5-21(31)22(7-14)33-24(26,27)28)17-4-3-15(25)8-20(17)19(13)9-23(32)29-10-16-11-34-12-30-16;1-13-17(8-14-2-5-20(30)21(9-14)34-24(26,27)28)16-4-3-15(25)10-19(16)18(13)11-22(31)29-12-23-32-6-7-33-23/h3-4,7-10,23,32H,5-6,11-12H2,1-2H3,(H,30,31);2-8,11-12,31H,9-10H2,1H3,(H,29,32);2-5,8-10,23,30H,6-7,11-12H2,1H3,(H,29,31)/b17-7-;18-6-;17-8-
InChIKeyOKQWZVJREYEQSR-XKFMABHQSA-N
XLogP15.20
TPSA234.72 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001479.36
LogP ≤ 515.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide with MolForge

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Related Compounds

2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 150960311
N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]acetamide
CID 159320222
N-[[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]methyl]-2-(1,3-thiazol-5-yl)acetamide
CID 147971095
2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methyl-6-(trifluoromethoxy)inden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 151772558
2-[6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 159473927
2-[6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 140722051
2-[(3Z)-6-fluoro-3-[(4-hydroxy-3-methoxy-5-propylphenyl)methylidene]-2-methylinden-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 121424101
2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(2-methylphenyl)acetamide
CID 121418205
methyl 2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetate
CID 146909263
[4-[(Z)-[3-[2-(1,3-dioxolan-2-ylmethylamino)-2-oxoethyl]-5-fluoro-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl]boronic acid;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]acetamide;4-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-1-(1,3-oxathiolan-2-yl)butan-2-one;4-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-1-(1,3-thiazol-2-yl)butan-2-one
CID 163647828
2-[(3E)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 121417845
[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenyl]boronic acid
CID 151835217

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide (CID 163839468) is N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide is CC1=C(CC(=O)NCC2OCCO2)c2cc(F)ccc2/C1=C\c1ccc(O)c(OC(F)(F)F)c1.CC1=C(CC(=O)NCc2cscn2)c2cc(F)ccc2/C1=C\c1ccc(O)c(OC(F)(F)F)c1.COc1cc(/C=C2/C(C)=C(CC(=O)NCC3OCCO3)c3cc(F)ccc32)cc(OC(F)(F)F)c1O.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide?
The InChIKey is OKQWZVJREYEQSR-XKFMABHQSA-N. The full InChI is InChI=1S/C25H23F4NO6.C24H18F4N2O3S.C24H21F4NO5/c1-13-17(7-14-8-20(33-2)24(32)21(9-14)36-25(27,28)29)16-4-3-15(26)10-19(16)18(13)11-22(31)30-12-23-34-5-6-35-23;1-13-18(6-14-2-5-21(31)22(7-14)33-24(26,27)28)17-4-3-15(25)8-20(17)19(13)9-23(32)29-10-16-11-34-12-30-16;1-13-17(8-14-2-5-20(30)21(9-14)34-24(26,27)28)16-4-3-15(25)10-19(16)18(13)11-22(31)29-12-23-32-6-7-33-23/h3-4,7-10,23,32H,5-6,11-12H2,1-2H3,(H,30,31);2-8,11-12,31H,9-10H2,1H3,(H,29,32);2-5,8-10,23,30H,6-7,11-12H2,1H3,(H,29,31)/b17-7-;18-6-;17-8-.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide?
N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide has a molecular weight of 1479.36 g/mol, XLogP of 15.20, 19 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-methoxy-5-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;N-(1,3-dioxolan-2-ylmethyl)-2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]acetamide;2-[(3Z)-6-fluoro-3-[[4-hydroxy-3-(trifluoromethoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide is sourced from PubChem (CID 163839468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).