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

C32H22FNO5 — CID 18855752

IUPAC2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C32H22FNO5/c1-19(35)21-7-12-24(13-8-21)34-29(22-9-14-25(15-10-22)38-18-20-5-3-2-4-6-20)28-30(36)26-17-23(33)11-16-27(26)39-31(28)32(34)37/h2-17,29H,18H2,1H3
InChIKeyBYBQEJSDFBKQJK-UHFFFAOYSA-N
MW519.53 g/mol
LogP6.46
Rot. Bonds6

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

2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855752) has the molecular formula C32H22FNO5 and a molecular weight of 519.53 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18855752
Molecular FormulaC32H22FNO5
Molecular Weight519.53 g/mol
Exact Mass519.15
IUPAC Name2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C32H22FNO5/c1-19(35)21-7-12-24(13-8-21)34-29(22-9-14-25(15-10-22)38-18-20-5-3-2-4-6-20)28-30(36)26-17-23(33)11-16-27(26)39-31(28)32(34)37/h2-17,29H,18H2,1H3
InChIKeyBYBQEJSDFBKQJK-UHFFFAOYSA-N
XLogP6.46
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853386
2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855314
2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855554
7-bromo-2-(4-bromophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854734
2-(4-acetylphenyl)-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855932
ethyl 4-[1-(4-ethoxyphenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18855520
2-phenyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852380
2-(4-acetylphenyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855626
2-(4-acetylphenyl)-1-(3-chlorophenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855914
7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856025
methyl 4-[7-fluoro-2-(4-fluorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18855891
2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 18852878

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855752) is 2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BYBQEJSDFBKQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22FNO5/c1-19(35)21-7-12-24(13-8-21)34-29(22-9-14-25(15-10-22)38-18-20-5-3-2-4-6-20)28-30(36)26-17-23(33)11-16-27(26)39-31(28)32(34)37/h2-17,29H,18H2,1H3.
What are the key properties of 2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 519.53 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).