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

C23H12BrF2NO3 — CID 18855427

IUPAC2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccc(F)cc2)N1c1cccc(Br)c1
InChIInChI=1S/C23H12BrF2NO3/c24-13-2-1-3-16(10-13)27-20(12-4-6-14(25)7-5-12)19-21(28)17-11-15(26)8-9-18(17)30-22(19)23(27)29/h1-11,20H
InChIKeyRQOJIGKQGGJFBU-UHFFFAOYSA-N
MW468.25 g/mol
LogP5.58
Rot. Bonds2

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

2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855427) has the molecular formula C23H12BrF2NO3 and a molecular weight of 468.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18855427
Molecular FormulaC23H12BrF2NO3
Molecular Weight468.25 g/mol
Exact Mass467.00
IUPAC Name2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccc(F)cc2)N1c1cccc(Br)c1
InChIInChI=1S/C23H12BrF2NO3/c24-13-2-1-3-16(10-13)27-20(12-4-6-14(25)7-5-12)19-21(28)17-11-15(26)8-9-18(17)30-22(19)23(27)29/h1-11,20H
InChIKeyRQOJIGKQGGJFBU-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

2-(3-bromophenyl)-7-chloro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853069
2-(3-bromophenyl)-1-(4-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856429
methyl 4-[2-(3-bromophenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18855895
2-(3-bromophenyl)-7-fluoro-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855733
7-fluoro-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855423
1-(4-bromophenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855467
2-(3-bromophenyl)-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857357
2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856003
7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853062
2-(3-bromophenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857321
1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855645
2-(3-bromophenyl)-7-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855805

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855427) is 2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccc(F)cc2)N1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RQOJIGKQGGJFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12BrF2NO3/c24-13-2-1-3-16(10-13)27-20(12-4-6-14(25)7-5-12)19-21(28)17-11-15(26)8-9-18(17)30-22(19)23(27)29/h1-11,20H.
What are the key properties of 2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-bromophenyl)-7-fluoro-1-(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 2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).