2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione

C15H9BrN2O3 — CID 135448417

IUPAC2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H9BrN2O3/c16-10-5-6-13(19)9(7-10)8-17-18-14(20)11-3-1-2-4-12(11)15(18)21/h1-8,19H/b17-8+
InChIKeyFJJQCLDPXCSCAR-CAOOACKPSA-N
MW345.15 g/mol
LogP2.78
Rot. Bonds2

About 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione

2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 135448417) has the molecular formula C15H9BrN2O3 and a molecular weight of 345.15 g/mol. Its IUPAC name is 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID135448417
Molecular FormulaC15H9BrN2O3
Molecular Weight345.15 g/mol
Exact Mass343.98
IUPAC Name2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H9BrN2O3/c16-10-5-6-13(19)9(7-10)8-17-18-14(20)11-3-1-2-4-12(11)15(18)21/h1-8,19H/b17-8+
InChIKeyFJJQCLDPXCSCAR-CAOOACKPSA-N
XLogP2.78
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 52.78
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

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
N-[(1E)-2-(5-bromo-2-hydroxyphenyl)-1-azavinyl](2-methylphenyl)carboxamide
CID 135412184
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 135540889
Succinimide, 2-(m-bromophenyl)-N-(o-hydroxybenzylideneamino)-
CID 135770218
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
CID 155551881
5-Bromosalicylaldehyde benzoylhydrazone
CID 354711
3-bromo-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135643122
2-[(E)-(4-hydroxyphenyl)methyleneamino]isoindoline-1,3-dione
CID 135452548
N-(2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-2-oxoethyl)-2-methylbenzamide
CID 135607178
2-[(2,3-Dihydroxyphenyl)methyleneamino]isoindoline-1,3-dione
CID 681152
2-[(E)-(2-Hydroxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135421584
2-{[1-(2-hydroxyphenyl)ethylidene]amino}-1H-isoindole-1,3(2H)-dione
CID 135446697

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione (CID 135448417) is 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is FJJQCLDPXCSCAR-CAOOACKPSA-N. The full InChI is InChI=1S/C15H9BrN2O3/c16-10-5-6-13(19)9(7-10)8-17-18-14(20)11-3-1-2-4-12(11)15(18)21/h1-8,19H/b17-8+.
What are the key properties of 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 345.15 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 135448417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).