2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H19FN2O3 — CID 663476

IUPAC2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3/c1-23(2)11-12-24-18(13-7-9-14(22)10-8-13)17-19(25)15-5-3-4-6-16(15)27-20(17)21(24)26/h3-10,18H,11-12H2,1-2H3
InChIKeyBWWNXZZVYXBXRW-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.04
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 663476) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID663476
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3/c1-23(2)11-12-24-18(13-7-9-14(22)10-8-13)17-19(25)15-5-3-4-6-16(15)27-20(17)21(24)26/h3-10,18H,11-12H2,1-2H3
InChIKeyBWWNXZZVYXBXRW-UHFFFAOYSA-N
XLogP3.04
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 663476) is 2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(F)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BWWNXZZVYXBXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-23(2)11-12-24-18(13-7-9-14(22)10-8-13)17-19(25)15-5-3-4-6-16(15)27-20(17)21(24)26/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 366.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 663476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).