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

C23H12BrF2NO3 — CID 2968661

IUPAC7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccccc2F)N1c1ccc(F)cc1
InChIInChI=1S/C23H12BrF2NO3/c24-12-5-10-18-16(11-12)21(28)19-20(15-3-1-2-4-17(15)26)27(23(29)22(19)30-18)14-8-6-13(25)7-9-14/h1-11,20H
InChIKeyMYUMMRPCKUWNMO-UHFFFAOYSA-N
MW468.25 g/mol
LogP5.58
Rot. Bonds2

About 7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2968661) has the molecular formula C23H12BrF2NO3 and a molecular weight of 468.25 g/mol. Its IUPAC name is 7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2968661
Molecular FormulaC23H12BrF2NO3
Molecular Weight468.25 g/mol
Exact Mass467.00
IUPAC Name7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccccc2F)N1c1ccc(F)cc1
InChIInChI=1S/C23H12BrF2NO3/c24-12-5-10-18-16(11-12)21(28)19-20(15-3-1-2-4-17(15)26)27(23(29)22(19)30-18)14-8-6-13(25)7-9-14/h1-11,20H
InChIKeyMYUMMRPCKUWNMO-UHFFFAOYSA-N
XLogP5.58
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.25
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Bromophenyl)-2-(2-(dimethylamino)ethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663694
1-(3-Bromophenyl)-2-[2-(diethylamino)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664656
7-Bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 665547
Methyl 4-(7-bromo-2-methyl-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
CID 3784023
7-Fluoro-1-(4-fluorophenyl)-2-(2-phenylethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2954128
7-Bromo-1-(2-fluorophenyl)-2-(2-methoxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2954455
2-Benzyl-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2958180
1-(3-Bromophenyl)-7-fluoro-2-(4-methylbenzyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2958535
7-bromo-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2959146
7-Bromo-2-(4-fluorobenzyl)-1-(3-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2960443
7-bromo-1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2960578
1-(4-Fluorophenyl)-2-phenethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3734693

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2968661) is 7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccccc2F)N1c1ccc(F)cc1.
What is the InChIKey of 7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MYUMMRPCKUWNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12BrF2NO3/c24-12-5-10-18-16(11-12)21(28)19-20(15-3-1-2-4-17(15)26)27(23(29)22(19)30-18)14-8-6-13(25)7-9-14/h1-11,20H.
What are the key properties of 7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 468.25 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2-fluorophenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2968661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).