N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide

C14H14ClN2O+ — CID 8826859

IUPACN-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cccc[n+]1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H13ClN2O/c1-11-6-4-5-9-17(11)10-14(18)16-13-8-3-2-7-12(13)15/h2-9H,10H2,1H3/p+1
InChIKeyNHSOVQOUIMVRBR-UHFFFAOYSA-O
MW261.73 g/mol
LogP2.57
Rot. Bonds3

About N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide

N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8826859) has the molecular formula C14H14ClN2O+ and a molecular weight of 261.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8826859
Molecular FormulaC14H14ClN2O+
Molecular Weight261.73 g/mol
Exact Mass261.08
IUPAC NameN-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cccc[n+]1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H13ClN2O/c1-11-6-4-5-9-17(11)10-14(18)16-13-8-3-2-7-12(13)15/h2-9H,10H2,1H3/p+1
InChIKeyNHSOVQOUIMVRBR-UHFFFAOYSA-O
XLogP2.57
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8827004
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826900
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
1-(4-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)ethanone
CID 3128667
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
N-(1-cyclopropylethylideneamino)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
CID 73448969
N-(2-chlorophenyl)hexanamide
CID 4644560
N-(2-chlorophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 731196
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide
CID 2604442

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide (CID 8826859) is N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide is Cc1cccc[n+]1CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is NHSOVQOUIMVRBR-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13ClN2O/c1-11-6-4-5-9-17(11)10-14(18)16-13-8-3-2-7-12(13)15/h2-9H,10H2,1H3/p+1.
What are the key properties of N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 261.73 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8826859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).