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

C20H15FN2O6 — CID 2956214

IUPAC7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H15FN2O6/c1-28-9-8-22-17(11-2-5-13(6-3-11)23(26)27)16-18(24)14-10-12(21)4-7-15(14)29-19(16)20(22)25/h2-7,10,17H,8-9H2,1H3
InChIKeyKAYXOMDKACZGJR-UHFFFAOYSA-N
MW398.35 g/mol
LogP3.03
Rot. Bonds5

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

7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2956214) has the molecular formula C20H15FN2O6 and a molecular weight of 398.35 g/mol. Its IUPAC name is 7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2956214
Molecular FormulaC20H15FN2O6
Molecular Weight398.35 g/mol
Exact Mass398.09
IUPAC Name7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H15FN2O6/c1-28-9-8-22-17(11-2-5-13(6-3-11)23(26)27)16-18(24)14-10-12(21)4-7-15(14)29-19(16)20(22)25/h2-7,10,17H,8-9H2,1H3
InChIKeyKAYXOMDKACZGJR-UHFFFAOYSA-N
XLogP3.03
TPSA102.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 53.03
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'}

Analyze 7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2956214) is 7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KAYXOMDKACZGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O6/c1-28-9-8-22-17(11-2-5-13(6-3-11)23(26)27)16-18(24)14-10-12(21)4-7-15(14)29-19(16)20(22)25/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 398.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(2-methoxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2956214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).