7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H17FN2O6 — CID 2960002

IUPAC7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C25H17FN2O6/c1-33-18-8-5-14(6-9-18)13-27-22(15-3-2-4-17(11-15)28(31)32)21-23(29)19-12-16(26)7-10-20(19)34-24(21)25(27)30/h2-12,22H,13H2,1H3
InChIKeyHTQWEBLCTHTWGG-UHFFFAOYSA-N
MW460.42 g/mol
LogP4.59
Rot. Bonds5

About 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2960002) has the molecular formula C25H17FN2O6 and a molecular weight of 460.42 g/mol. Its IUPAC name is 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2960002
Molecular FormulaC25H17FN2O6
Molecular Weight460.42 g/mol
Exact Mass460.11
IUPAC Name7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C25H17FN2O6/c1-33-18-8-5-14(6-9-18)13-27-22(15-3-2-4-17(11-15)28(31)32)21-23(29)19-12-16(26)7-10-20(19)34-24(21)25(27)30/h2-12,22H,13H2,1H3
InChIKeyHTQWEBLCTHTWGG-UHFFFAOYSA-N
XLogP4.59
TPSA102.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-Fluoro-1-(4-hydroxyphenyl)-2-(4-methoxybenzyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 15991316
1-(2-Fluorophenyl)-7-methyl-2-(3-morpholinopropyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 15991363
7-Fluoro-2-[3-(morpholin-4-YL)propyl]-1-(3-nitrophenyl)-1H,2H,3H,9H-chromeno[2,3-C]pyrrole-3,9-dione
CID 4705279
7-Fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 15991351
2-[3-(Dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 15991373
7-Methyl-2-[3-(morpholin-4-yl)propyl]-1-(4-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2954559
1-(3-Ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3633532
1-(4-Tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 15991349
(1S)-2-benzyl-7-chloro-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2215093
7-Fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3633531
1-(4-Ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3710555
1-(4-Ethoxyphenyl)-7-fluoro-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 6624903

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2960002) is 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HTQWEBLCTHTWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O6/c1-33-18-8-5-14(6-9-18)13-27-22(15-3-2-4-17(11-15)28(31)32)21-23(29)19-12-16(26)7-10-20(19)34-24(21)25(27)30/h2-12,22H,13H2,1H3.
What are the key properties of 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 460.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2960002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).