7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H14BrClFNO3 — CID 2959146

IUPAC7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(Cl)cc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H14BrClFNO3/c25-15-5-10-19-18(11-15)22(29)20-21(14-3-6-16(26)7-4-14)28(24(30)23(20)31-19)12-13-1-8-17(27)9-2-13/h1-11,21H,12H2
InChIKeyLMJTWRJCBWSQPC-UHFFFAOYSA-N
MW498.74 g/mol
LogP6.09
Rot. Bonds3

About 7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2959146) has the molecular formula C24H14BrClFNO3 and a molecular weight of 498.74 g/mol. Its IUPAC name is 7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2959146
Molecular FormulaC24H14BrClFNO3
Molecular Weight498.74 g/mol
Exact Mass496.98
IUPAC Name7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(Cl)cc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H14BrClFNO3/c25-15-5-10-19-18(11-15)22(29)20-21(14-3-6-16(26)7-4-14)28(24(30)23(20)31-19)12-13-1-8-17(27)9-2-13/h1-11,21H,12H2
InChIKeyLMJTWRJCBWSQPC-UHFFFAOYSA-N
XLogP6.09
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.74
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2959146) is 7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(Cl)cc2)N1Cc1ccc(F)cc1.
What is the InChIKey of 7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LMJTWRJCBWSQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrClFNO3/c25-15-5-10-19-18(11-15)22(29)20-21(14-3-6-16(26)7-4-14)28(24(30)23(20)31-19)12-13-1-8-17(27)9-2-13/h1-11,21H,12H2.
What are the key properties of 7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 498.74 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2959146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).