7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C20H16FNO4 — CID 19130533

IUPAC7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2NC(=O)c3oc4ccc(F)cc4c(=O)c32)cc1
InChIInChI=1S/C20H16FNO4/c1-2-9-25-13-6-3-11(4-7-13)17-16-18(23)14-10-12(21)5-8-15(14)26-19(16)20(24)22-17/h3-8,10,17H,2,9H2,1H3,(H,22,24)
InChIKeyBUCODGWUAJLJAU-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.55
Rot. Bonds4

About 7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130533) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is 7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130533
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2NC(=O)c3oc4ccc(F)cc4c(=O)c32)cc1
InChIInChI=1S/C20H16FNO4/c1-2-9-25-13-6-3-11(4-7-13)17-16-18(23)14-10-12(21)5-8-15(14)26-19(16)20(24)22-17/h3-8,10,17H,2,9H2,1H3,(H,22,24)
InChIKeyBUCODGWUAJLJAU-UHFFFAOYSA-N
XLogP3.55
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butoxyphenyl)-7-fluoro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130534
1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130385
7-fluoro-1-(4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4859307
7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130475
1-(4-butoxyphenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130688
(1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 40744306
7-chloro-6-methyl-1-(4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130694
7-fluoro-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130537
2-(1,3-benzodioxol-5-ylmethyl)-7-fluoro-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3611906
2-(3,4-dimethylphenyl)-7-fluoro-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855688
7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810304
2-(3-chloro-4-methylphenyl)-7-fluoro-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855694

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130533) is 7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2NC(=O)c3oc4ccc(F)cc4c(=O)c32)cc1.
What is the InChIKey of 7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BUCODGWUAJLJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c1-2-9-25-13-6-3-11(4-7-13)17-16-18(23)14-10-12(21)5-8-15(14)26-19(16)20(24)22-17/h3-8,10,17H,2,9H2,1H3,(H,22,24).
What are the key properties of 7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 353.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).