N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide

C14H13Br2N2O+ — CID 8826976

IUPACN-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cccc[n+]1CC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O/c1-10-4-2-3-7-18(10)9-14(19)17-13-6-5-11(15)8-12(13)16/h2-8H,9H2,1H3/p+1
InChIKeyGZWYAIJNFMCYMK-UHFFFAOYSA-O
MW385.08 g/mol
LogP3.45
Rot. Bonds3

About N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide

N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8826976) has the molecular formula C14H13Br2N2O+ and a molecular weight of 385.08 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8826976
Molecular FormulaC14H13Br2N2O+
Molecular Weight385.08 g/mol
Exact Mass382.94
IUPAC NameN-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cccc[n+]1CC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O/c1-10-4-2-3-7-18(10)9-14(19)17-13-6-5-11(15)8-12(13)16/h2-8H,9H2,1H3/p+1
InChIKeyGZWYAIJNFMCYMK-UHFFFAOYSA-O
XLogP3.45
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.08
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826865
N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8717579
N-(2-bromo-4-methylphenyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8828520
N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
CID 19993624
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
N-(2,4-dibromophenyl)hexanamide
CID 4251482
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
N-(2-bromo-4-methylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide
CID 8856319
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751353
2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 8826970
2-(2-aminoethoxy)-N-(2,4-dibromophenyl)acetamide
CID 79473463

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide (CID 8826976) is N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide is Cc1cccc[n+]1CC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is GZWYAIJNFMCYMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H12Br2N2O/c1-10-4-2-3-7-18(10)9-14(19)17-13-6-5-11(15)8-12(13)16/h2-8H,9H2,1H3/p+1.
What are the key properties of N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 385.08 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8826976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).