3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C23H29BrN2O2 — CID 67679171

IUPAC3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(COc3ccccc3)c(Br)c2)CC(C)(C)N1
InChIInChI=1S/C23H29BrN2O2/c1-22(2)13-18(14-23(3,4)26-22)25-21(27)16-10-11-17(20(24)12-16)15-28-19-8-6-5-7-9-19/h5-12,18,26H,13-15H2,1-4H3,(H,25,27)
InChIKeyCFSGHGXDCVJILB-UHFFFAOYSA-N
MW445.40 g/mol
LogP5.07
Rot. Bonds5

About 3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 67679171) has the molecular formula C23H29BrN2O2 and a molecular weight of 445.40 g/mol. Its IUPAC name is 3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID67679171
Molecular FormulaC23H29BrN2O2
Molecular Weight445.40 g/mol
Exact Mass444.14
IUPAC Name3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(COc3ccccc3)c(Br)c2)CC(C)(C)N1
InChIInChI=1S/C23H29BrN2O2/c1-22(2)13-18(14-23(3,4)26-22)25-21(27)16-10-11-17(20(24)12-16)15-28-19-8-6-5-7-9-19/h5-12,18,26H,13-15H2,1-4H3,(H,25,27)
InChIKeyCFSGHGXDCVJILB-UHFFFAOYSA-N
XLogP5.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.40
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 35945918
3-bromo-4-(phenoxymethyl)benzohydrazide
CID 102774318
methyl 3-bromo-4-(phenoxymethyl)benzoate
CID 957497
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344870
1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108888896
3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide
CID 67679317
4-anilino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679426
3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449633
3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385922
4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679298
4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344867

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 67679171) is 3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(COc3ccccc3)c(Br)c2)CC(C)(C)N1.
What is the InChIKey of 3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is CFSGHGXDCVJILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O2/c1-22(2)13-18(14-23(3,4)26-22)25-21(27)16-10-11-17(20(24)12-16)15-28-19-8-6-5-7-9-19/h5-12,18,26H,13-15H2,1-4H3,(H,25,27).
What are the key properties of 3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 445.40 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 67679171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).