5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide

C13H16BrN3O2 — CID 840820

IUPAC5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
SMILESCN1CCC(=NNC(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C13H16BrN3O2/c1-17-6-4-10(5-7-17)15-16-13(19)11-8-9(14)2-3-12(11)18/h2-3,8,18H,4-7H2,1H3,(H,16,19)
InChIKeyKLELEUFECDGTGA-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.97
Rot. Bonds2

About 5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide

5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide (PubChem CID 840820) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
PubChem CID840820
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
SMILESCN1CCC(=NNC(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C13H16BrN3O2/c1-17-6-4-10(5-7-17)15-16-13(19)11-8-9(14)2-3-12(11)18/h2-3,8,18H,4-7H2,1H3,(H,16,19)
InChIKeyKLELEUFECDGTGA-UHFFFAOYSA-N
XLogP1.97
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[[4-[(2-hydroxybenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 4240118
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697
5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 6183167
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 142816904
5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
CID 107729779
2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 27459585
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide (CID 840820) is 5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide is CN1CCC(=NNC(=O)c2cc(Br)ccc2O)CC1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is KLELEUFECDGTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-17-6-4-10(5-7-17)15-16-13(19)11-8-9(14)2-3-12(11)18/h2-3,8,18H,4-7H2,1H3,(H,16,19).
What are the key properties of 5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide?
5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 326.19 g/mol, XLogP of 1.97, 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-methylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 840820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).