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

C23H13BrFNO4 — CID 18854470

IUPAC7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H13BrFNO4/c24-13-3-10-18-17(11-13)21(28)19-20(12-1-8-16(27)9-2-12)26(23(29)22(19)30-18)15-6-4-14(25)5-7-15/h1-11,20,27H
InChIKeyNTQKOIOAERTORT-UHFFFAOYSA-N
MW466.26 g/mol
LogP5.15
Rot. Bonds2

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

7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854470) has the molecular formula C23H13BrFNO4 and a molecular weight of 466.26 g/mol. Its IUPAC name is 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854470
Molecular FormulaC23H13BrFNO4
Molecular Weight466.26 g/mol
Exact Mass465.00
IUPAC Name7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H13BrFNO4/c24-13-3-10-18-17(11-13)21(28)19-20(12-1-8-16(27)9-2-12)26(23(29)22(19)30-18)15-6-4-14(25)5-7-15/h1-11,20,27H
InChIKeyNTQKOIOAERTORT-UHFFFAOYSA-N
XLogP5.15
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.26
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854470) is 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(O)cc2)N1c1ccc(F)cc1.
What is the InChIKey of 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NTQKOIOAERTORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13BrFNO4/c24-13-3-10-18-17(11-13)21(28)19-20(12-1-8-16(27)9-2-12)26(23(29)22(19)30-18)15-6-4-14(25)5-7-15/h1-11,20,27H.
What are the key properties of 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 466.26 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).