7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H21BrClNO4 — CID 18810614

About 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810614) has the molecular formula C27H21BrClNO4 and a molecular weight of 538.83 g/mol. Its IUPAC name is 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18810614
• Molecular Formula: C27H21BrClNO4
• Molecular Weight: 538.83 g/mol
• Exact Mass: 537.03
• IUPAC Name: 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCOc1cccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccccc2Cl)c1
• InChI: InChI=1S/C27H21BrClNO4/c1-2-12-33-19-8-5-7-16(13-19)24-23-25(31)20-14-18(28)10-11-22(20)34-26(23)27(32)30(24)15-17-6-3-4-9-21(17)29/h3-11,13-14,24H,2,12,15H2,1H3
• InChIKey: KFLALJZSXFXHEA-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.83
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810614) is 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1cccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccccc2Cl)c1.

What is the InChIKey of 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is KFLALJZSXFXHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrClNO4/c1-2-12-33-19-8-5-7-16(13-19)24-23-25(31)20-14-18(28)10-11-22(20)34-26(23)27(32)30(24)15-17-6-3-4-9-21(17)29/h3-11,13-14,24H,2,12,15H2,1H3.

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

7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 538.83 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).