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

C24H16FNO3 — CID 2958180

IUPAC2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C24H16FNO3/c25-17-12-10-16(11-13-17)21-20-22(27)18-8-4-5-9-19(18)29-23(20)24(28)26(21)14-15-6-2-1-3-7-15/h1-13,21H,14H2
InChIKeyNOINJJBEPLBCPU-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.68
Rot. Bonds3

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

2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2958180) has the molecular formula C24H16FNO3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2958180
Molecular FormulaC24H16FNO3
Molecular Weight385.39 g/mol
Exact Mass385.11
IUPAC Name2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C24H16FNO3/c25-17-12-10-16(11-13-17)21-20-22(27)18-8-4-5-9-19(18)29-23(20)24(28)26(21)14-15-6-2-1-3-7-15/h1-13,21H,14H2
InChIKeyNOINJJBEPLBCPU-UHFFFAOYSA-N
XLogP4.68
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2958180) is 2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NOINJJBEPLBCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO3/c25-17-12-10-16(11-13-17)21-20-22(27)18-8-4-5-9-19(18)29-23(20)24(28)26(21)14-15-6-2-1-3-7-15/h1-13,21H,14H2.
What are the key properties of 2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 385.39 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2958180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).