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

C20H15BrFNO4 — CID 2954455

IUPAC7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccccc1F
InChIInChI=1S/C20H15BrFNO4/c1-26-9-8-23-17(12-4-2-3-5-14(12)22)16-18(24)13-10-11(21)6-7-15(13)27-19(16)20(23)25/h2-7,10,17H,8-9H2,1H3
InChIKeyRQXXZWXBQKMNEL-UHFFFAOYSA-N
MW432.25 g/mol
LogP3.89
Rot. Bonds4

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

7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2954455) has the molecular formula C20H15BrFNO4 and a molecular weight of 432.25 g/mol. Its IUPAC name is 7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2954455
Molecular FormulaC20H15BrFNO4
Molecular Weight432.25 g/mol
Exact Mass431.02
IUPAC Name7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccccc1F
InChIInChI=1S/C20H15BrFNO4/c1-26-9-8-23-17(12-4-2-3-5-14(12)22)16-18(24)13-10-11(21)6-7-15(13)27-19(16)20(23)25/h2-7,10,17H,8-9H2,1H3
InChIKeyRQXXZWXBQKMNEL-UHFFFAOYSA-N
XLogP3.89
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.25
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2954455) is 7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccccc1F.
What is the InChIKey of 7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RQXXZWXBQKMNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFNO4/c1-26-9-8-23-17(12-4-2-3-5-14(12)22)16-18(24)13-10-11(21)6-7-15(13)27-19(16)20(23)25/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 432.25 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2954455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).