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

C24H14BrFN2O5 — CID 2960443

IUPAC7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H14BrFN2O5/c25-15-6-9-19-18(11-15)22(29)20-21(14-2-1-3-17(10-14)28(31)32)27(24(30)23(20)33-19)12-13-4-7-16(26)8-5-13/h1-11,21H,12H2
InChIKeyCKFBRWFZYGDQEJ-UHFFFAOYSA-N
MW509.29 g/mol
LogP5.35
Rot. Bonds4

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

7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2960443) has the molecular formula C24H14BrFN2O5 and a molecular weight of 509.29 g/mol. Its IUPAC name is 7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2960443
Molecular FormulaC24H14BrFN2O5
Molecular Weight509.29 g/mol
Exact Mass508.01
IUPAC Name7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H14BrFN2O5/c25-15-6-9-19-18(11-15)22(29)20-21(14-2-1-3-17(10-14)28(31)32)27(24(30)23(20)33-19)12-13-4-7-16(26)8-5-13/h1-11,21H,12H2
InChIKeyCKFBRWFZYGDQEJ-UHFFFAOYSA-N
XLogP5.35
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.29
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2960443) is 7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1Cc1ccc(F)cc1.
What is the InChIKey of 7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is CKFBRWFZYGDQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrFN2O5/c25-15-6-9-19-18(11-15)22(29)20-21(14-2-1-3-17(10-14)28(31)32)27(24(30)23(20)33-19)12-13-4-7-16(26)8-5-13/h1-11,21H,12H2.
What are the key properties of 7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 509.29 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(4-fluorophenyl)methyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2960443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).