N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C18H26BrN3O2 — CID 108522624

IUPACN'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H26BrN3O2/c1-11-8-12(19)6-7-14(11)21-16(24)15(23)20-13-9-17(2,3)22-18(4,5)10-13/h6-8,13,22H,9-10H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyYGXGWRYIUJYTAA-UHFFFAOYSA-N
MW396.33 g/mol
LogP3.12
Rot. Bonds2

About N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 108522624) has the molecular formula C18H26BrN3O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID108522624
Molecular FormulaC18H26BrN3O2
Molecular Weight396.33 g/mol
Exact Mass395.12
IUPAC NameN'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H26BrN3O2/c1-11-8-12(19)6-7-14(11)21-16(24)15(23)20-13-9-17(2,3)22-18(4,5)10-13/h6-8,13,22H,9-10H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyYGXGWRYIUJYTAA-UHFFFAOYSA-N
XLogP3.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 53.12
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-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 101395512
N'-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 53326882
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522018
N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522629
N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 71590626
1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 67679072
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
CID 108532618
methyl 4-[[2-(4-bromo-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108528189
N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501383
N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108516290
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 108522624) is N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is Cc1cc(Br)ccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is YGXGWRYIUJYTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O2/c1-11-8-12(19)6-7-14(11)21-16(24)15(23)20-13-9-17(2,3)22-18(4,5)10-13/h6-8,13,22H,9-10H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 396.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108522624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).