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

C30H19F2NO4 — CID 166490184

IUPAC1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(Oc3ccc(F)cc3)c2)N1Cc1ccc(F)cc1
InChIInChI=1S/C30H19F2NO4/c31-20-10-8-18(9-11-20)17-33-27(19-4-3-5-23(16-19)36-22-14-12-21(32)13-15-22)26-28(34)24-6-1-2-7-25(24)37-29(26)30(33)35/h1-16,27H,17H2
InChIKeyCZBVBROOECBGDW-UHFFFAOYSA-N
MW495.48 g/mol
LogP6.61
Rot. Bonds5

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

1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 166490184) has the molecular formula C30H19F2NO4 and a molecular weight of 495.48 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID166490184
Molecular FormulaC30H19F2NO4
Molecular Weight495.48 g/mol
Exact Mass495.13
IUPAC Name1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(Oc3ccc(F)cc3)c2)N1Cc1ccc(F)cc1
InChIInChI=1S/C30H19F2NO4/c31-20-10-8-18(9-11-20)17-33-27(19-4-3-5-23(16-19)36-22-14-12-21(32)13-15-22)26-28(34)24-6-1-2-7-25(24)37-29(26)30(33)35/h1-16,27H,17H2
InChIKeyCZBVBROOECBGDW-UHFFFAOYSA-N
XLogP6.61
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.48
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 166490184) is 1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2cccc(Oc3ccc(F)cc3)c2)N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is CZBVBROOECBGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19F2NO4/c31-20-10-8-18(9-11-20)17-33-27(19-4-3-5-23(16-19)36-22-14-12-21(32)13-15-22)26-28(34)24-6-1-2-7-25(24)37-29(26)30(33)35/h1-16,27H,17H2.
What are the key properties of 1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 495.48 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)phenyl]-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 166490184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).