1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione

C16H8BrClFNO2 — CID 110580868

IUPAC1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C16H8BrClFNO2/c17-10-3-7-12(8-4-10)20-15(21)13(14(18)16(20)22)9-1-5-11(19)6-2-9/h1-8H
InChIKeyWDFGFAQKALWYAU-UHFFFAOYSA-N
MW380.60 g/mol
LogP4.11
Rot. Bonds2

About 1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione

1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110580868) has the molecular formula C16H8BrClFNO2 and a molecular weight of 380.60 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110580868
Molecular FormulaC16H8BrClFNO2
Molecular Weight380.60 g/mol
Exact Mass378.94
IUPAC Name1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C16H8BrClFNO2/c17-10-3-7-12(8-4-10)20-15(21)13(14(18)16(20)22)9-1-5-11(19)6-2-9/h1-8H
InChIKeyWDFGFAQKALWYAU-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-chloro-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110580735
3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110582148
1-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545705
3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583072
3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110580877
3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584277
3-chloro-1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584236
3-chloro-4-(4-chlorophenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110584051
3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110570416
3-chloro-4-(4-methylphenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110584172
3-chloro-1-(3,4-dichlorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584245
3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110580860

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110580868) is 1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione is O=C1C(Cl)=C(c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is WDFGFAQKALWYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrClFNO2/c17-10-3-7-12(8-4-10)20-15(21)13(14(18)16(20)22)9-1-5-11(19)6-2-9/h1-8H.
What are the key properties of 1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione?
1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 380.60 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110580868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).