1-(3-chlorophenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H17ClF3NO3 — CID 18856906

About 1-(3-chlorophenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-chlorophenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856906) has the molecular formula C26H17ClF3NO3 and a molecular weight of 483.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856906
• Molecular Formula: C26H17ClF3NO3
• Molecular Weight: 483.87 g/mol
• Exact Mass: 483.08
• IUPAC Name: 1-(3-chlorophenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(Cl)c1)N(c1cccc(C(F)(F)F)c1)C3=O
• InChI: InChI=1S/C26H17ClF3NO3/c1-13-9-19-20(10-14(13)2)34-24-21(23(19)32)22(15-5-3-7-17(27)11-15)31(25(24)33)18-8-4-6-16(12-18)26(28,29)30/h3-12,22H,1-2H3
• InChIKey: XRKOAJXLXASZHD-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.87
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(3-chlorophenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856906) is 1-(3-chlorophenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(3-chlorophenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(Cl)c1)N(c1cccc(C(F)(F)F)c1)C3=O.

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

The InChIKey is XRKOAJXLXASZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3NO3/c1-13-9-19-20(10-14(13)2)34-24-21(23(19)32)22(15-5-3-7-17(27)11-15)31(25(24)33)18-8-4-6-16(12-18)26(28,29)30/h3-12,22H,1-2H3.

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

1-(3-chlorophenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 483.87 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).