3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione

C17H13BrN2O3 — CID 135770218

IUPAC3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc(Br)c2)C(=O)N1/N=C/c1ccccc1O
InChIInChI=1S/C17H13BrN2O3/c18-13-6-3-5-11(8-13)14-9-16(22)20(17(14)23)19-10-12-4-1-2-7-15(12)21/h1-8,10,14,21H,9H2/b19-10+
InChIKeyGKDMZISPLZMCDC-VXLYETTFSA-N
MW373.21 g/mol
LogP3.03
Rot. Bonds3

About 3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione

3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione (PubChem CID 135770218) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione
PubChem CID135770218
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc(Br)c2)C(=O)N1/N=C/c1ccccc1O
InChIInChI=1S/C17H13BrN2O3/c18-13-6-3-5-11(8-13)14-9-16(22)20(17(14)23)19-10-12-4-1-2-7-15(12)21/h1-8,10,14,21H,9H2/b19-10+
InChIKeyGKDMZISPLZMCDC-VXLYETTFSA-N
XLogP3.03
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione
CID 98056157
3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 11725029
(1R,2R,6S,7S)-4-[(Z)-(2-hydroxyphenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 136663089
3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione
CID 135776448
3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione
CID 3066587
3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
CID 135788061
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
(4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
CID 94841881
4-bromo-2-[(E)-[4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766508
2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol
CID 166437320
(4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
CID 136800382
1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione
CID 69334837

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione (CID 135770218) is 3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione is O=C1CC(c2cccc(Br)c2)C(=O)N1/N=C/c1ccccc1O.
What is the InChIKey of 3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione?
The InChIKey is GKDMZISPLZMCDC-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c18-13-6-3-5-11(8-13)14-9-16(22)20(17(14)23)19-10-12-4-1-2-7-15(12)21/h1-8,10,14,21H,9H2/b19-10+.
What are the key properties of 3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione?
3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione has a molecular weight of 373.21 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 135770218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).