1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H22FNO4 — CID 78256686

IUPAC1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC1CCC2OC3=C(C(=O)C2C1)C(c1ccccc1F)N(Cc1ccco1)C3=O
InChIInChI=1S/C23H22FNO4/c1-13-8-9-18-16(11-13)21(26)19-20(15-6-2-3-7-17(15)24)25(23(27)22(19)29-18)12-14-5-4-10-28-14/h2-7,10,13,16,18,20H,8-9,11-12H2,1H3
InChIKeyDAAPNLIRLTXSHL-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.16
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 78256686) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID78256686
Molecular FormulaC23H22FNO4
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC1CCC2OC3=C(C(=O)C2C1)C(c1ccccc1F)N(Cc1ccco1)C3=O
InChIInChI=1S/C23H22FNO4/c1-13-8-9-18-16(11-13)21(26)19-20(15-6-2-3-7-17(15)24)25(23(27)22(19)29-18)12-14-5-4-10-28-14/h2-7,10,13,16,18,20H,8-9,11-12H2,1H3
InChIKeyDAAPNLIRLTXSHL-UHFFFAOYSA-N
XLogP4.16
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-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-chloro-1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78356604
2-(furan-2-ylmethyl)-1-(4-hydroxyphenyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78256111
2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254481
2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255296
7-fluoro-2-(furan-2-ylmethyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78330891
2-(furan-2-ylmethyl)-6,7-dimethyl-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255444
7-bromo-2-(furan-2-ylmethyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254578
2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255548
1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73262113
2-butyl-1-(2-fluorophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73261125
1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254233
7-fluoro-2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78379593

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 78256686) is 1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC1CCC2OC3=C(C(=O)C2C1)C(c1ccccc1F)N(Cc1ccco1)C3=O.
What is the InChIKey of 1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DAAPNLIRLTXSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-13-8-9-18-16(11-13)21(26)19-20(15-6-2-3-7-17(15)24)25(23(27)22(19)29-18)12-14-5-4-10-28-14/h2-7,10,13,16,18,20H,8-9,11-12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 395.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 78256686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).