1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H25ClFNO4 — CID 78255140

IUPAC1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)C3=C(C(=O)C4CC(F)CCC4O3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H25ClFNO4/c1-32-19-9-2-15(3-10-19)12-13-29-23(16-4-6-17(27)7-5-16)22-24(30)20-14-18(28)8-11-21(20)33-25(22)26(29)31/h2-7,9-10,18,20-21,23H,8,11-14H2,1H3
InChIKeyGNSAJDAAVPOPKM-UHFFFAOYSA-N
MW469.94 g/mol
LogP4.83
Rot. Bonds5

About 1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 78255140) has the molecular formula C26H25ClFNO4 and a molecular weight of 469.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID78255140
Molecular FormulaC26H25ClFNO4
Molecular Weight469.94 g/mol
Exact Mass469.15
IUPAC Name1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)C3=C(C(=O)C4CC(F)CCC4O3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H25ClFNO4/c1-32-19-9-2-15(3-10-19)12-13-29-23(16-4-6-17(27)7-5-16)22-24(30)20-14-18(28)8-11-21(20)33-25(22)26(29)31/h2-7,9-10,18,20-21,23H,8,11-14H2,1H3
InChIKeyGNSAJDAAVPOPKM-UHFFFAOYSA-N
XLogP4.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.94
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78224278
7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78263701
1-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78248988
1-(4-chlorophenyl)-2-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78256029
7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254249
1-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78246396
7-chloro-1-(3,4-dimethoxyphenyl)-2-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261401
1-(3-hydroxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78244372
2-[2-(diethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78383737
2-butyl-1-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73259990
1-(4-hydroxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261592
methyl 4-[7-fluoro-3,9-dioxo-2-(3-propan-2-yloxypropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 78254498

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 78255140) is 1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CCN2C(=O)C3=C(C(=O)C4CC(F)CCC4O3)C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GNSAJDAAVPOPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFNO4/c1-32-19-9-2-15(3-10-19)12-13-29-23(16-4-6-17(27)7-5-16)22-24(30)20-14-18(28)8-11-21(20)33-25(22)26(29)31/h2-7,9-10,18,20-21,23H,8,11-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 469.94 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 78255140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).