3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione

C16H13BrN2O3 — CID 43860822

IUPAC3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc(Br)c2)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C16H13BrN2O3/c17-10-3-1-4-11(7-10)18-14-9-15(21)19(16(14)22)12-5-2-6-13(20)8-12/h1-8,14,18,20H,9H2
InChIKeyCFSWBHJTIBXGAV-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.90
Rot. Bonds3

About 3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione

3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione (PubChem CID 43860822) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is 3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
PubChem CID43860822
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC Name3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc(Br)c2)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C16H13BrN2O3/c17-10-3-1-4-11(7-10)18-14-9-15(21)19(16(14)22)12-5-2-6-13(20)8-12/h1-8,14,18,20H,9H2
InChIKeyCFSWBHJTIBXGAV-UHFFFAOYSA-N
XLogP2.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.90
H-Bond Donors ≤ 52
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 3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione (CID 43860822) is 3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione is O=C1CC(Nc2cccc(Br)c2)C(=O)N1c1cccc(O)c1.
What is the InChIKey of 3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is CFSWBHJTIBXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c17-10-3-1-4-11(7-10)18-14-9-15(21)19(16(14)22)12-5-2-6-13(20)8-12/h1-8,14,18,20H,9H2.
What are the key properties of 3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 361.20 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43860822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).