N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide

C16H18BrN2O+ — CID 8877610

IUPACN-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-2-4-13-7-9-19(10-8-13)12-16(20)18-15-6-3-5-14(17)11-15/h3,5-11H,2,4,12H2,1H3/p+1
InChIKeyFDYHYQXJWSBPPK-UHFFFAOYSA-O
MW334.24 g/mol
LogP3.33
Rot. Bonds5

About N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide

N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide (PubChem CID 8877610) has the molecular formula C16H18BrN2O+ and a molecular weight of 334.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
PubChem CID8877610
Molecular FormulaC16H18BrN2O+
Molecular Weight334.24 g/mol
Exact Mass333.06
IUPAC NameN-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-2-4-13-7-9-19(10-8-13)12-16(20)18-15-6-3-5-14(17)11-15/h3,5-11H,2,4,12H2,1H3/p+1
InChIKeyFDYHYQXJWSBPPK-UHFFFAOYSA-O
XLogP3.33
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.33
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-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877598
N-(3-bromophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide chloride
CID 43001070
N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877644
N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877264
N-(3-chloro-4-cyanophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877420
N-(3-bromophenyl)heptanamide
CID 4596383
N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
CID 108502479
N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878092
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
N-(3-acetylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878078
N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3627107
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide (CID 8877610) is N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide is CCCc1cc[n+](CC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The InChIKey is FDYHYQXJWSBPPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17BrN2O/c1-2-4-13-7-9-19(10-8-13)12-16(20)18-15-6-3-5-14(17)11-15/h3,5-11H,2,4,12H2,1H3/p+1.
What are the key properties of N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide has a molecular weight of 334.24 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8877610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).