3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide

C23H27BrN6O2 — CID 67679317

IUPAC3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3-c3nn[nH]n3)c(Br)c2)CC(C)(C)N1
InChIInChI=1S/C23H27BrN6O2/c1-22(2)12-15(13-23(3,4)28-22)25-21(31)14-9-10-19(17(24)11-14)32-18-8-6-5-7-16(18)20-26-29-30-27-20/h5-11,15,28H,12-13H2,1-4H3,(H,25,31)(H,26,27,29,30)
InChIKeyBGWMRJNCTUBQPS-UHFFFAOYSA-N
MW499.41 g/mol
LogP4.46
Rot. Bonds5

About 3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide

3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide (PubChem CID 67679317) has the molecular formula C23H27BrN6O2 and a molecular weight of 499.41 g/mol. Its IUPAC name is 3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide
PubChem CID67679317
Molecular FormulaC23H27BrN6O2
Molecular Weight499.41 g/mol
Exact Mass498.14
IUPAC Name3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3-c3nn[nH]n3)c(Br)c2)CC(C)(C)N1
InChIInChI=1S/C23H27BrN6O2/c1-22(2)12-15(13-23(3,4)28-22)25-21(31)14-9-10-19(17(24)11-14)32-18-8-6-5-7-16(18)20-26-29-30-27-20/h5-11,15,28H,12-13H2,1-4H3,(H,25,31)(H,26,27,29,30)
InChIKeyBGWMRJNCTUBQPS-UHFFFAOYSA-N
XLogP4.46
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide with MolForge

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Related Compounds

3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679605
methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-2-carboxylate
CID 67679627
4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123471044
3-chloro-4-(2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678992
methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate
CID 67679483
3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679171
3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344336
3-chloro-4-[2-(phenylcarbamoyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679341
3-chloro-4-[2-(1-hydroxyethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679606
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679530
4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679197

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide?
The IUPAC name of 3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide (CID 67679317) is 3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide.
What is the SMILES notation for 3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide?
The canonical SMILES for 3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3-c3nn[nH]n3)c(Br)c2)CC(C)(C)N1.
What is the InChIKey of 3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide?
The InChIKey is BGWMRJNCTUBQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN6O2/c1-22(2)12-15(13-23(3,4)28-22)25-21(31)14-9-10-19(17(24)11-14)32-18-8-6-5-7-16(18)20-26-29-30-27-20/h5-11,15,28H,12-13H2,1-4H3,(H,25,31)(H,26,27,29,30).
What are the key properties of 3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide?
3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide has a molecular weight of 499.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide is sourced from PubChem (CID 67679317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).