N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C18H25BrN2O2 — CID 86574257

IUPACN-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1ccc(NC(=O)C(=O)C2CC(C)(C)NC(C)(C)C2)cc1Br
InChIInChI=1S/C18H25BrN2O2/c1-11-6-7-13(8-14(11)19)20-16(23)15(22)12-9-17(2,3)21-18(4,5)10-12/h6-8,12,21H,9-10H2,1-5H3,(H,20,23)
InChIKeyYOKCIPDYFODRRZ-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.82
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 86574257) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID86574257
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC NameN-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1ccc(NC(=O)C(=O)C2CC(C)(C)NC(C)(C)C2)cc1Br
InChIInChI=1S/C18H25BrN2O2/c1-11-6-7-13(8-14(11)19)20-16(23)15(22)12-9-17(2,3)21-18(4,5)10-12/h6-8,12,21H,9-10H2,1-5H3,(H,20,23)
InChIKeyYOKCIPDYFODRRZ-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 86574555
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
CID 79505881
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 108986891
3-[(3-bromo-4-methylphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836206
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939
N-(3-bromo-4-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80501438
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(3-bromo-4-methylphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108986806
N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522496
N-(2-amino-2-sulfanylideneethyl)-N'-(3-bromo-4-methylphenyl)oxamide
CID 63334491
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 86574257) is N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is Cc1ccc(NC(=O)C(=O)C2CC(C)(C)NC(C)(C)C2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is YOKCIPDYFODRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c1-11-6-7-13(8-14(11)19)20-16(23)15(22)12-9-17(2,3)21-18(4,5)10-12/h6-8,12,21H,9-10H2,1-5H3,(H,20,23).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 381.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 86574257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).