2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H22FNO4 — CID 18856872

IUPAC2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccccc2F)cc1
InChIInChI=1S/C27H22FNO4/c1-4-32-18-11-9-17(10-12-18)29-24(19-7-5-6-8-21(19)28)23-25(30)20-13-15(2)16(3)14-22(20)33-26(23)27(29)31/h5-14,24H,4H2,1-3H3
InChIKeyFLBFHLZDOJYZEK-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.70
Rot. Bonds4

About 2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856872) has the molecular formula C27H22FNO4 and a molecular weight of 443.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856872
Molecular FormulaC27H22FNO4
Molecular Weight443.47 g/mol
Exact Mass443.15
IUPAC Name2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccccc2F)cc1
InChIInChI=1S/C27H22FNO4/c1-4-32-18-11-9-17(10-12-18)29-24(19-7-5-6-8-21(19)28)23-25(30)20-13-15(2)16(3)14-22(20)33-26(23)27(29)31/h5-14,24H,4H2,1-3H3
InChIKeyFLBFHLZDOJYZEK-UHFFFAOYSA-N
XLogP5.70
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855872
1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856508
2-(4-ethoxyphenyl)-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857282
1-(4-bromophenyl)-2-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856460
2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856510
1-(2-fluorophenyl)-2,6,7-trimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2985110
2-(4-acetylphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856520
2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3717934
2-(3-chlorophenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856512
2-[4-[2-(4-fluorophenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 18857229
(1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40774186
6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856685

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856872) is 2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccccc2F)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FLBFHLZDOJYZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FNO4/c1-4-32-18-11-9-17(10-12-18)29-24(19-7-5-6-8-21(19)28)23-25(30)20-13-15(2)16(3)14-22(20)33-26(23)27(29)31/h5-14,24H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 443.47 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).