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

C15H16BrN2O+ — CID 8827490

IUPACN-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cc[n+](CC(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C15H15BrN2O/c1-11-5-7-18(8-6-11)10-15(19)17-13-4-3-12(2)14(16)9-13/h3-9H,10H2,1-2H3/p+1
InChIKeySRJRUILFSNBJHJ-UHFFFAOYSA-O
MW320.21 g/mol
LogP2.99
Rot. Bonds3

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

N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8827490) has the molecular formula C15H16BrN2O+ and a molecular weight of 320.21 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8827490
Molecular FormulaC15H16BrN2O+
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cc[n+](CC(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C15H15BrN2O/c1-11-5-7-18(8-6-11)10-15(19)17-13-4-3-12(2)14(16)9-13/h3-9H,10H2,1-2H3/p+1
InChIKeySRJRUILFSNBJHJ-UHFFFAOYSA-O
XLogP2.99
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 52.99
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

2-(4-methylpyridin-1-ium-1-yl)-N-[4-[4-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]phenyl]phenyl]acetamide dibromide
CID 156583193
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827705
1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
CID 8857721
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
[2-(3-bromo-4-methylanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253050
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 108986891
ethyl N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]carbamate
CID 112998523
N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (CID 8827490) is N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is Cc1cc[n+](CC(=O)Nc2ccc(C)c(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is SRJRUILFSNBJHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15BrN2O/c1-11-5-7-18(8-6-11)10-15(19)17-13-4-3-12(2)14(16)9-13/h3-9H,10H2,1-2H3/p+1.
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 320.21 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8827490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).