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

C25H17F2NO3 — CID 2954128

IUPAC7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccc(F)cc2)N1CCc1ccccc1
InChIInChI=1S/C25H17F2NO3/c26-17-8-6-16(7-9-17)22-21-23(29)19-14-18(27)10-11-20(19)31-24(21)25(30)28(22)13-12-15-4-2-1-3-5-15/h1-11,14,22H,12-13H2
InChIKeyAEKGTOIHFZMQJY-UHFFFAOYSA-N
MW417.41 g/mol
LogP4.86
Rot. Bonds4

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

7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2954128) has the molecular formula C25H17F2NO3 and a molecular weight of 417.41 g/mol. Its IUPAC name is 7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2954128
Molecular FormulaC25H17F2NO3
Molecular Weight417.41 g/mol
Exact Mass417.12
IUPAC Name7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccc(F)cc2)N1CCc1ccccc1
InChIInChI=1S/C25H17F2NO3/c26-17-8-6-16(7-9-17)22-21-23(29)19-14-18(27)10-11-20(19)31-24(21)25(30)28(22)13-12-15-4-2-1-3-5-15/h1-11,14,22H,12-13H2
InChIKeyAEKGTOIHFZMQJY-UHFFFAOYSA-N
XLogP4.86
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2954128) is 7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccc(F)cc2)N1CCc1ccccc1.
What is the InChIKey of 7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is AEKGTOIHFZMQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2NO3/c26-17-8-6-16(7-9-17)22-21-23(29)19-14-18(27)10-11-20(19)31-24(21)25(30)28(22)13-12-15-4-2-1-3-5-15/h1-11,14,22H,12-13H2.
What are the key properties of 7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 417.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2954128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).