1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione

C19H16BrNO4 — CID 2223997

IUPAC1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione
SMILESCc1cc(OCC(=O)c2ccc(Br)cc2)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C19H16BrNO4/c1-12-10-15(6-7-16(12)21-18(23)8-9-19(21)24)25-11-17(22)13-2-4-14(20)5-3-13/h2-7,10H,8-9,11H2,1H3
InChIKeyAMECYKKGJJZQTE-UHFFFAOYSA-N
MW402.24 g/mol
LogP3.67
Rot. Bonds5

About 1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione

1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione (PubChem CID 2223997) has the molecular formula C19H16BrNO4 and a molecular weight of 402.24 g/mol. Its IUPAC name is 1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione
PubChem CID2223997
Molecular FormulaC19H16BrNO4
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC Name1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione
SMILESCc1cc(OCC(=O)c2ccc(Br)cc2)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C19H16BrNO4/c1-12-10-15(6-7-16(12)21-18(23)8-9-19(21)24)25-11-17(22)13-2-4-14(20)5-3-13/h2-7,10H,8-9,11H2,1H3
InChIKeyAMECYKKGJJZQTE-UHFFFAOYSA-N
XLogP3.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione (CID 2223997) is 1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione is Cc1cc(OCC(=O)c2ccc(Br)cc2)ccc1N1C(=O)CCC1=O.
What is the InChIKey of 1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione?
The InChIKey is AMECYKKGJJZQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4/c1-12-10-15(6-7-16(12)21-18(23)8-9-19(21)24)25-11-17(22)13-2-4-14(20)5-3-13/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione?
1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione has a molecular weight of 402.24 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-bromophenyl)-2-oxoethoxy]-2-methylphenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2223997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).