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

C26H19BrFNO3 — CID 2960293

IUPAC7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C26H19BrFNO3/c1-2-15-3-7-17(8-4-15)23-22-24(30)20-13-18(27)9-12-21(20)32-25(22)26(31)29(23)14-16-5-10-19(28)11-6-16/h3-13,23H,2,14H2,1H3
InChIKeyITSGXVNQSLAHMF-UHFFFAOYSA-N
MW492.34 g/mol
LogP6.00
Rot. Bonds4

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

7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2960293) has the molecular formula C26H19BrFNO3 and a molecular weight of 492.34 g/mol. Its IUPAC name is 7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2960293
Molecular FormulaC26H19BrFNO3
Molecular Weight492.34 g/mol
Exact Mass491.05
IUPAC Name7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C26H19BrFNO3/c1-2-15-3-7-17(8-4-15)23-22-24(30)20-13-18(27)9-12-21(20)32-25(22)26(31)29(23)14-16-5-10-19(28)11-6-16/h3-13,23H,2,14H2,1H3
InChIKeyITSGXVNQSLAHMF-UHFFFAOYSA-N
XLogP6.00
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.34
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810547
7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810589
7-bromo-2-[(4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810722
7-chloro-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809974
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809737
7-fluoro-2-[(4-fluorophenyl)methyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810250
1-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809758
(1S)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2214700
7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810304
(1R)-7-bromo-1-(4-fluorophenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 6587001
(1S)-7-bromo-1-(4-fluorophenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2005470
2-benzyl-7-bromo-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3565473

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2960293) is 7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ITSGXVNQSLAHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrFNO3/c1-2-15-3-7-17(8-4-15)23-22-24(30)20-13-18(27)9-12-21(20)32-25(22)26(31)29(23)14-16-5-10-19(28)11-6-16/h3-13,23H,2,14H2,1H3.
What are the key properties of 7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 492.34 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2960293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).