1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H16BrNO4 — CID 663628

About 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 663628) has the molecular formula C23H16BrNO4 and a molecular weight of 450.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 663628
• Molecular Formula: C23H16BrNO4
• Molecular Weight: 450.29 g/mol
• Exact Mass: 449.03
• IUPAC Name: 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Br)c1)N(Cc1ccco1)C3=O
• InChI: InChI=1S/C23H16BrNO4/c1-13-7-8-18-17(10-13)21(26)19-20(14-4-2-5-15(24)11-14)25(23(27)22(19)29-18)12-16-6-3-9-28-16/h2-11,20H,12H2,1H3
• InChIKey: XZJCIOXRRBJGSH-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 63.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.29
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 663628) is 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Br)c1)N(Cc1ccco1)C3=O.

What is the InChIKey of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is XZJCIOXRRBJGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrNO4/c1-13-7-8-18-17(10-13)21(26)19-20(14-4-2-5-15(24)11-14)25(23(27)22(19)29-18)12-16-6-3-9-28-16/h2-11,20H,12H2,1H3.

What are the key properties of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 450.29 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 663628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).