7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H15BrFNO4 — CID 18854668

IUPAC7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(F)cc2)c1
InChIInChI=1S/C24H15BrFNO4/c1-30-17-4-2-3-13(11-17)21-20-22(28)18-12-14(25)5-10-19(18)31-23(20)24(29)27(21)16-8-6-15(26)7-9-16/h2-12,21H,1H3
InChIKeyCKMKYMOUAPIGJX-UHFFFAOYSA-N
MW480.29 g/mol
LogP5.45
Rot. Bonds3

About 7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854668) has the molecular formula C24H15BrFNO4 and a molecular weight of 480.29 g/mol. Its IUPAC name is 7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854668
Molecular FormulaC24H15BrFNO4
Molecular Weight480.29 g/mol
Exact Mass479.02
IUPAC Name7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(F)cc2)c1
InChIInChI=1S/C24H15BrFNO4/c1-30-17-4-2-3-13(11-17)21-20-22(28)18-12-14(25)5-10-19(18)31-23(20)24(29)27(21)16-8-6-15(26)7-9-16/h2-12,21H,1H3
InChIKeyCKMKYMOUAPIGJX-UHFFFAOYSA-N
XLogP5.45
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.29
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854668) is 7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(F)cc2)c1.
What is the InChIKey of 7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is CKMKYMOUAPIGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrFNO4/c1-30-17-4-2-3-13(11-17)21-20-22(28)18-12-14(25)5-10-19(18)31-23(20)24(29)27(21)16-8-6-15(26)7-9-16/h2-12,21H,1H3.
What are the key properties of 7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 480.29 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-fluorophenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).