1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H16BrCl2NO3 — CID 18882594

About 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882594) has the molecular formula C25H16BrCl2NO3 and a molecular weight of 529.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18882594
• Molecular Formula: C25H16BrCl2NO3
• Molecular Weight: 529.22 g/mol
• Exact Mass: 526.97
• IUPAC Name: 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(Br)c1)N(Cc1ccccc1Cl)C3=O
• InChI: InChI=1S/C25H16BrCl2NO3/c1-13-9-20-17(11-19(13)28)23(30)21-22(14-6-4-7-16(26)10-14)29(25(31)24(21)32-20)12-15-5-2-3-8-18(15)27/h2-11,22H,12H2,1H3
• InChIKey: QPRJCHNCIGBDKX-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.22
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882594) is 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(Br)c1)N(Cc1ccccc1Cl)C3=O.

What is the InChIKey of 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is QPRJCHNCIGBDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrCl2NO3/c1-13-9-20-17(11-19(13)28)23(30)21-22(14-6-4-7-16(26)10-14)29(25(31)24(21)32-20)12-15-5-2-3-8-18(15)27/h2-11,22H,12H2,1H3.

What are the key properties of 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 529.22 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).