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

C23H13BrFNO3 — CID 18854308

IUPAC7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H13BrFNO3/c24-14-6-11-18-17(12-14)21(27)19-20(13-4-2-1-3-5-13)26(23(28)22(19)29-18)16-9-7-15(25)8-10-16/h1-12,20H
InChIKeyBSRKHFWHPLKQMG-UHFFFAOYSA-N
MW450.26 g/mol
LogP5.44
Rot. Bonds2

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

7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854308) has the molecular formula C23H13BrFNO3 and a molecular weight of 450.26 g/mol. Its IUPAC name is 7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854308
Molecular FormulaC23H13BrFNO3
Molecular Weight450.26 g/mol
Exact Mass449.01
IUPAC Name7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H13BrFNO3/c24-14-6-11-18-17(12-14)21(27)19-20(13-4-2-1-3-5-13)26(23(28)22(19)29-18)16-9-7-15(25)8-10-16/h1-12,20H
InChIKeyBSRKHFWHPLKQMG-UHFFFAOYSA-N
XLogP5.44
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.26
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854308) is 7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccccc2)N1c1ccc(F)cc1.
What is the InChIKey of 7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BSRKHFWHPLKQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13BrFNO3/c24-14-6-11-18-17(12-14)21(27)19-20(13-4-2-1-3-5-13)26(23(28)22(19)29-18)16-9-7-15(25)8-10-16/h1-12,20H.
What are the key properties of 7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 450.26 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).