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

C29H24FNO4 — CID 18855554

IUPAC2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H24FNO4/c1-16(32)17-7-12-21(13-8-17)31-25(18-5-9-19(10-6-18)29(2,3)4)24-26(33)22-15-20(30)11-14-23(22)35-27(24)28(31)34/h5-15,25H,1-4H3
InChIKeyRMEOFFDHUGTDHU-UHFFFAOYSA-N
MW469.51 g/mol
LogP6.18
Rot. Bonds3

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

2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855554) has the molecular formula C29H24FNO4 and a molecular weight of 469.51 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18855554
Molecular FormulaC29H24FNO4
Molecular Weight469.51 g/mol
Exact Mass469.17
IUPAC Name2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H24FNO4/c1-16(32)17-7-12-21(13-8-17)31-25(18-5-9-19(10-6-18)29(2,3)4)24-26(33)22-15-20(30)11-14-23(22)35-27(24)28(31)34/h5-15,25H,1-4H3
InChIKeyRMEOFFDHUGTDHU-UHFFFAOYSA-N
XLogP6.18
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylphenyl)-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855932
7-fluoro-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855423
2-(4-acetylphenyl)-1-(3-chlorophenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855914
methyl 4-[7-fluoro-2-(4-fluorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18855891
2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855752
2-(4-acetylphenyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855626
7-bromo-2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854536
2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856094
1-(4-tert-butylphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708870
1-(4-tert-butylphenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857552
ethyl 4-[1-(4-ethoxyphenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18855520
1-(4-tert-butylphenyl)-7-fluoro-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708241

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855554) is 2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RMEOFFDHUGTDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FNO4/c1-16(32)17-7-12-21(13-8-17)31-25(18-5-9-19(10-6-18)29(2,3)4)24-26(33)22-15-20(30)11-14-23(22)35-27(24)28(31)34/h5-15,25H,1-4H3.
What are the key properties of 2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 469.51 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).