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

C25H18FNO3 — CID 3734693

IUPAC1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1CCc1ccccc1
InChIInChI=1S/C25H18FNO3/c26-18-12-10-17(11-13-18)22-21-23(28)19-8-4-5-9-20(19)30-24(21)25(29)27(22)15-14-16-6-2-1-3-7-16/h1-13,22H,14-15H2
InChIKeyRMXDZJCLMBQERZ-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.72
Rot. Bonds4

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

1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3734693) has the molecular formula C25H18FNO3 and a molecular weight of 399.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3734693
Molecular FormulaC25H18FNO3
Molecular Weight399.42 g/mol
Exact Mass399.13
IUPAC Name1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1CCc1ccccc1
InChIInChI=1S/C25H18FNO3/c26-18-12-10-17(11-13-18)22-21-23(28)19-8-4-5-9-20(19)30-24(21)25(29)27(22)15-14-16-6-2-1-3-7-16/h1-13,22H,14-15H2
InChIKeyRMXDZJCLMBQERZ-UHFFFAOYSA-N
XLogP4.72
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3734693) is 1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1CCc1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RMXDZJCLMBQERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO3/c26-18-12-10-17(11-13-18)22-21-23(28)19-8-4-5-9-20(19)30-24(21)25(29)27(22)15-14-16-6-2-1-3-7-16/h1-13,22H,14-15H2.
What are the key properties of 1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 399.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3734693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).