2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide

C22H22ClN2O+ — CID 8859529

IUPAC2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(C[n+]1ccc(Cc2ccccc2)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O/c23-21-8-6-18(7-9-21)10-13-24-22(26)17-25-14-11-20(12-15-25)16-19-4-2-1-3-5-19/h1-9,11-12,14-15H,10,13,16-17H2/p+1
InChIKeyVTGCUBVFESSTJH-UHFFFAOYSA-O
MW365.88 g/mol
LogP3.58
Rot. Bonds7

About 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide

2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 8859529) has the molecular formula C22H22ClN2O+ and a molecular weight of 365.88 g/mol. Its IUPAC name is 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID8859529
Molecular FormulaC22H22ClN2O+
Molecular Weight365.88 g/mol
Exact Mass365.14
IUPAC Name2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(C[n+]1ccc(Cc2ccccc2)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O/c23-21-8-6-18(7-9-21)10-13-24-22(26)17-25-14-11-20(12-15-25)16-19-4-2-1-3-5-19/h1-9,11-12,14-15H,10,13,16-17H2/p+1
InChIKeyVTGCUBVFESSTJH-UHFFFAOYSA-O
XLogP3.58
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.58
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-(4-chlorophenyl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877328
2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8860463
N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
CID 13133471
2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
CID 8859646
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 109002927
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 8863393
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
CID 9354911

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 8859529) is 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide is O=C(C[n+]1ccc(Cc2ccccc2)cc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is VTGCUBVFESSTJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21ClN2O/c23-21-8-6-18(7-9-21)10-13-24-22(26)17-25-14-11-20(12-15-25)16-19-4-2-1-3-5-19/h1-9,11-12,14-15H,10,13,16-17H2/p+1.
What are the key properties of 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 365.88 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 8859529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).