3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione

C17H13BrFNO2 — CID 2910200

IUPAC3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13BrFNO2/c18-13-3-1-11(2-4-13)9-12-10-16(21)20(17(12)22)15-7-5-14(19)6-8-15/h1-8,12H,9-10H2
InChIKeyQDMWCSIVFJZKSD-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.71
Rot. Bonds3

About 3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione

3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 2910200) has the molecular formula C17H13BrFNO2 and a molecular weight of 362.20 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID2910200
Molecular FormulaC17H13BrFNO2
Molecular Weight362.20 g/mol
Exact Mass361.01
IUPAC Name3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13BrFNO2/c18-13-3-1-11(2-4-13)9-12-10-16(21)20(17(12)22)15-7-5-14(19)6-8-15/h1-8,12H,9-10H2
InChIKeyQDMWCSIVFJZKSD-UHFFFAOYSA-N
XLogP3.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 53.71
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

3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2868769
3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 3758336
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1212986
3-[(4-chlorophenyl)methyl]-1-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 3133545
3-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpyrrolidine-2,5-dione
CID 2956902
(3S)-3-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 1262979
2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile
CID 110457877
1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2865163
3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 3522082
(3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
CID 96529480

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 2910200) is 3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione is O=C1CC(Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is QDMWCSIVFJZKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO2/c18-13-3-1-11(2-4-13)9-12-10-16(21)20(17(12)22)15-7-5-14(19)6-8-15/h1-8,12H,9-10H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 362.20 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2910200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).