7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C19H13BrFNO4 — CID 665547

IUPAC7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(F)c2)N1CCO
InChIInChI=1S/C19H13BrFNO4/c20-11-4-5-14-13(9-11)17(24)15-16(10-2-1-3-12(21)8-10)22(6-7-23)19(25)18(15)26-14/h1-5,8-9,16,23H,6-7H2
InChIKeyWODPHXPXBKKHSB-UHFFFAOYSA-N
MW418.22 g/mol
LogP3.23
Rot. Bonds3

About 7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 665547) has the molecular formula C19H13BrFNO4 and a molecular weight of 418.22 g/mol. Its IUPAC name is 7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID665547
Molecular FormulaC19H13BrFNO4
Molecular Weight418.22 g/mol
Exact Mass417.00
IUPAC Name7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(F)c2)N1CCO
InChIInChI=1S/C19H13BrFNO4/c20-11-4-5-14-13(9-11)17(24)15-16(10-2-1-3-12(21)8-10)22(6-7-23)19(25)18(15)26-14/h1-5,8-9,16,23H,6-7H2
InChIKeyWODPHXPXBKKHSB-UHFFFAOYSA-N
XLogP3.23
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Fluoro-1-phenyl-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663458
2-(2-(Dimethylamino)ethyl)-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663476
1-(3-Bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663628
1-(3-Bromophenyl)-2-(2-(dimethylamino)ethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663694
1-(3-Bromophenyl)-2-(furan-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663702
1-(4-Methoxyphenyl)-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664040
1-(3-Bromophenyl)-2-[2-(diethylamino)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664656
Methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
CID 665388
1-(3-Fluorophenyl)-2-(3-hydroxypropyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 665442
1-(3-Hydroxyphenyl)-2-(2-methoxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4888254
2-(4-Fluorobenzyl)-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4986784
7-Fluoro-2-[3-(morpholin-4-yl)propyl]-1-[3-(prop-2-en-1-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 5178250

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 665547) is 7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(F)c2)N1CCO.
What is the InChIKey of 7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WODPHXPXBKKHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFNO4/c20-11-4-5-14-13(9-11)17(24)15-16(10-2-1-3-12(21)8-10)22(6-7-23)19(25)18(15)26-14/h1-5,8-9,16,23H,6-7H2.
What are the key properties of 7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 418.22 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 665547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).