N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C17H24BrN3O2 — CID 108522496

IUPACN'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2cccc(Br)c2)CC(C)(C)N1
InChIInChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-6-11(18)8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyFCBUICRGQMIPEF-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.81
Rot. Bonds2

About N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 108522496) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID108522496
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC NameN'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2cccc(Br)c2)CC(C)(C)N1
InChIInChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-6-11(18)8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyFCBUICRGQMIPEF-UHFFFAOYSA-N
XLogP2.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522624
N'-(4-bromo-2-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 101395512
N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522018
N'-(4-acetylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108514763
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
CID 108512623
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28674695
N'-(3-bromophenyl)-N-(4-chlorophenyl)oxamide
CID 108516651

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 108522496) is N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CC1(C)CC(NC(=O)C(=O)Nc2cccc(Br)c2)CC(C)(C)N1.
What is the InChIKey of N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is FCBUICRGQMIPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-6-11(18)8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 382.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108522496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).