N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide

C18H21Cl2N2O+ — CID 8878083

IUPACN-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
SMILESCCC(CC)c1cc[n+](CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H20Cl2N2O/c1-3-13(4-2)14-7-9-22(10-8-14)12-18(23)21-15-5-6-16(19)17(20)11-15/h5-11,13H,3-4,12H2,1-2H3/p+1
InChIKeyOMUBFNDFSQXFNN-UHFFFAOYSA-O
MW352.29 g/mol
LogP4.82
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide

N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide (PubChem CID 8878083) has the molecular formula C18H21Cl2N2O+ and a molecular weight of 352.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
PubChem CID8878083
Molecular FormulaC18H21Cl2N2O+
Molecular Weight352.29 g/mol
Exact Mass351.10
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
SMILESCCC(CC)c1cc[n+](CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H20Cl2N2O/c1-3-13(4-2)14-7-9-22(10-8-14)12-18(23)21-15-5-6-16(19)17(20)11-15/h5-11,13H,3-4,12H2,1-2H3/p+1
InChIKeyOMUBFNDFSQXFNN-UHFFFAOYSA-O
XLogP4.82
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.82
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-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878109
N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878092
N-(3-acetylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878078
N-(3-bromophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide chloride
CID 43001070
N-(3,4-dichlorophenyl)-2-isoquinolin-2-ium-2-ylacetamide
CID 8829211
N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878198
N-(3-chloro-4-fluorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide
CID 8865374
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
N-(3-chloro-4-cyanophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877420
2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(propylcarbamoyl)acetamide
CID 8878002
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
CID 67062966

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide (CID 8878083) is N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide is CCC(CC)c1cc[n+](CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The InChIKey is OMUBFNDFSQXFNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20Cl2N2O/c1-3-13(4-2)14-7-9-22(10-8-14)12-18(23)21-15-5-6-16(19)17(20)11-15/h5-11,13H,3-4,12H2,1-2H3/p+1.
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide has a molecular weight of 352.29 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8878083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).