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

C23H12BrF2NO3 — CID 18854416

IUPAC7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(F)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H12BrF2NO3/c24-13-3-10-18-17(11-13)21(28)19-20(12-1-4-14(25)5-2-12)27(23(29)22(19)30-18)16-8-6-15(26)7-9-16/h1-11,20H
InChIKeyMCQDMVSZKCGTIS-UHFFFAOYSA-N
MW468.25 g/mol
LogP5.58
Rot. Bonds2

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

7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854416) has the molecular formula C23H12BrF2NO3 and a molecular weight of 468.25 g/mol. Its IUPAC name is 7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854416
Molecular FormulaC23H12BrF2NO3
Molecular Weight468.25 g/mol
Exact Mass467.00
IUPAC Name7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(F)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H12BrF2NO3/c24-13-3-10-18-17(11-13)21(28)19-20(12-1-4-14(25)5-2-12)27(23(29)22(19)30-18)16-8-6-15(26)7-9-16/h1-11,20H
InChIKeyMCQDMVSZKCGTIS-UHFFFAOYSA-N
XLogP5.58
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.25
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854416) is 7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(F)cc2)N1c1ccc(F)cc1.
What is the InChIKey of 7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MCQDMVSZKCGTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12BrF2NO3/c24-13-3-10-18-17(11-13)21(28)19-20(12-1-4-14(25)5-2-12)27(23(29)22(19)30-18)16-8-6-15(26)7-9-16/h1-11,20H.
What are the key properties of 7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 468.25 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).