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

C24H15BrFNO4 — CID 4223853

IUPAC7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(O)cc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H15BrFNO4/c25-15-5-10-19-18(11-15)22(29)20-21(14-3-8-17(28)9-4-14)27(24(30)23(20)31-19)12-13-1-6-16(26)7-2-13/h1-11,21,28H,12H2
InChIKeyXMXNZTIYVJVYQT-UHFFFAOYSA-N
MW480.29 g/mol
LogP5.15
Rot. Bonds3

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

7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4223853) has the molecular formula C24H15BrFNO4 and a molecular weight of 480.29 g/mol. Its IUPAC name is 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4223853
Molecular FormulaC24H15BrFNO4
Molecular Weight480.29 g/mol
Exact Mass479.02
IUPAC Name7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(O)cc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H15BrFNO4/c25-15-5-10-19-18(11-15)22(29)20-21(14-3-8-17(28)9-4-14)27(24(30)23(20)31-19)12-13-1-6-16(26)7-2-13/h1-11,21,28H,12H2
InChIKeyXMXNZTIYVJVYQT-UHFFFAOYSA-N
XLogP5.15
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.29
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)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4223853) is 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(O)cc2)N1Cc1ccc(F)cc1.
What is the InChIKey of 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XMXNZTIYVJVYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrFNO4/c25-15-5-10-19-18(11-15)22(29)20-21(14-3-8-17(28)9-4-14)27(24(30)23(20)31-19)12-13-1-6-16(26)7-2-13/h1-11,21,28H,12H2.
What are the key properties of 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 480.29 g/mol, XLogP of 5.15, 3 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)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4223853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).