5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide

C12H11BrN2O4 — CID 107729779

IUPAC5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
SMILESCN1C(=O)CC(NC(=O)c2cc(Br)ccc2O)C1=O
InChIInChI=1S/C12H11BrN2O4/c1-15-10(17)5-8(12(15)19)14-11(18)7-4-6(13)2-3-9(7)16/h2-4,8,16H,5H2,1H3,(H,14,18)
InChIKeyIYJTVNZYHOSWGC-UHFFFAOYSA-N
MW327.13 g/mol
LogP0.64
Rot. Bonds2

About 5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide

5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide (PubChem CID 107729779) has the molecular formula C12H11BrN2O4 and a molecular weight of 327.13 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
PubChem CID107729779
Molecular FormulaC12H11BrN2O4
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
SMILESCN1C(=O)CC(NC(=O)c2cc(Br)ccc2O)C1=O
InChIInChI=1S/C12H11BrN2O4/c1-15-10(17)5-8(12(15)19)14-11(18)7-4-6(13)2-3-9(7)16/h2-4,8,16H,5H2,1H3,(H,14,18)
InChIKeyIYJTVNZYHOSWGC-UHFFFAOYSA-N
XLogP0.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114372512
4-bromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-sulfanylbenzamide
CID 107031626
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039160
4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
CID 81307054
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid
CID 104607694
5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide
CID 107729810
2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114344484
6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 115497964
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712504
4-hydroxy-2-methyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 107671606

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide (CID 107729779) is 5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide is CN1C(=O)CC(NC(=O)c2cc(Br)ccc2O)C1=O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide?
The InChIKey is IYJTVNZYHOSWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4/c1-15-10(17)5-8(12(15)19)14-11(18)7-4-6(13)2-3-9(7)16/h2-4,8,16H,5H2,1H3,(H,14,18).
What are the key properties of 5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide?
5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide has a molecular weight of 327.13 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 107729779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).