N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

C14H14BrN2O2+ — CID 8751353

IUPACN-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESCc1ccc(NC(=O)C[n+]2cccc(O)c2)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-10-4-5-13(12(15)7-10)16-14(19)9-17-6-2-3-11(18)8-17/h2-8H,9H2,1H3,(H-,16,18,19)/p+1
InChIKeyJHCMJISKPPUDHM-UHFFFAOYSA-O
MW322.18 g/mol
LogP2.39
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (PubChem CID 8751353) has the molecular formula C14H14BrN2O2+ and a molecular weight of 322.18 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
PubChem CID8751353
Molecular FormulaC14H14BrN2O2+
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESCc1ccc(NC(=O)C[n+]2cccc(O)c2)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-10-4-5-13(12(15)7-10)16-14(19)9-17-6-2-3-11(18)8-17/h2-8H,9H2,1H3,(H-,16,18,19)/p+1
InChIKeyJHCMJISKPPUDHM-UHFFFAOYSA-O
XLogP2.39
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 8751313
2-(3-hydroxypyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8751323
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8828520
N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876602
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751307
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953221
N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153680
N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121268
N-(2-bromo-4-methylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide
CID 8856319
N-(2-bromo-4-methylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 2707551

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (CID 8751353) is N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is Cc1ccc(NC(=O)C[n+]2cccc(O)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The InChIKey is JHCMJISKPPUDHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13BrN2O2/c1-10-4-5-13(12(15)7-10)16-14(19)9-17-6-2-3-11(18)8-17/h2-8H,9H2,1H3,(H-,16,18,19)/p+1.
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide has a molecular weight of 322.18 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8751353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).