(3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

C19H18BrNO3 — CID 1220420

IUPAC(3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C19H18BrNO3/c1-12(2)24-16-8-6-13(7-9-16)17-11-18(22)21(19(17)23)15-5-3-4-14(20)10-15/h3-10,12,17H,11H2,1-2H3/t17-/m1/s1
InChIKeyAKSNMJAVTYUDRO-QGZVFWFLSA-N
MW388.26 g/mol
LogP4.28
Rot. Bonds4

About (3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

(3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (PubChem CID 1220420) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is (3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
PubChem CID1220420
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Name(3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C19H18BrNO3/c1-12(2)24-16-8-6-13(7-9-16)17-11-18(22)21(19(17)23)15-5-3-4-14(20)10-15/h3-10,12,17H,11H2,1-2H3/t17-/m1/s1
InChIKeyAKSNMJAVTYUDRO-QGZVFWFLSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (CID 1220420) is (3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is CC(C)Oc1ccc([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)cc1.
What is the InChIKey of (3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is AKSNMJAVTYUDRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-12(2)24-16-8-6-13(7-9-16)17-11-18(22)21(19(17)23)15-5-3-4-14(20)10-15/h3-10,12,17H,11H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
(3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 388.26 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1220420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).