5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide

C18H14BrN3O4 — CID 3984145

IUPAC5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide
SMILESCC(CN1C(=O)c2ccccc2C1=O)=NNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C18H14BrN3O4/c1-10(20-21-16(24)14-8-11(19)6-7-15(14)23)9-22-17(25)12-4-2-3-5-13(12)18(22)26/h2-8,23H,9H2,1H3,(H,21,24)
InChIKeyNEUSLJMCQLSNDT-UHFFFAOYSA-N
MW416.23 g/mol
LogP2.56
Rot. Bonds4

About 5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide

5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide (PubChem CID 3984145) has the molecular formula C18H14BrN3O4 and a molecular weight of 416.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide
PubChem CID3984145
Molecular FormulaC18H14BrN3O4
Molecular Weight416.23 g/mol
Exact Mass415.02
IUPAC Name5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide
SMILESCC(CN1C(=O)c2ccccc2C1=O)=NNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C18H14BrN3O4/c1-10(20-21-16(24)14-8-11(19)6-7-15(14)23)9-22-17(25)12-4-2-3-5-13(12)18(22)26/h2-8,23H,9H2,1H3,(H,21,24)
InChIKeyNEUSLJMCQLSNDT-UHFFFAOYSA-N
XLogP2.56
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide (CID 3984145) is 5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide is CC(CN1C(=O)c2ccccc2C1=O)=NNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide?
The InChIKey is NEUSLJMCQLSNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O4/c1-10(20-21-16(24)14-8-11(19)6-7-15(14)23)9-22-17(25)12-4-2-3-5-13(12)18(22)26/h2-8,23H,9H2,1H3,(H,21,24).
What are the key properties of 5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide?
5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide has a molecular weight of 416.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 3984145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).