N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride

C20H20ClN3O — CID 19993624

IUPACN-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
SMILESCc1cccc[n+]1CC(=O)Nc1ccccc1Nc1ccccc1.[Cl-]
InChIInChI=1S/C20H19N3O.ClH/c1-16-9-7-8-14-23(16)15-20(24)22-19-13-6-5-12-18(19)21-17-10-3-2-4-11-17;/h2-14,21H,15H2,1H3;1H
InChIKeyOHNNDQHIIRIXGB-UHFFFAOYSA-N
MW353.85 g/mol
LogP0.67
Rot. Bonds5

About N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride

N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride (PubChem CID 19993624) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride.

Molecular Properties

Compound NameN-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
PubChem CID19993624
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
SMILESCc1cccc[n+]1CC(=O)Nc1ccccc1Nc1ccccc1.[Cl-]
InChIInChI=1S/C20H19N3O.ClH/c1-16-9-7-8-14-23(16)15-20(24)22-19-13-6-5-12-18(19)21-17-10-3-2-4-11-17;/h2-14,21H,15H2,1H3;1H
InChIKeyOHNNDQHIIRIXGB-UHFFFAOYSA-N
XLogP0.67
TPSA45.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826865
N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826859
N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826985
2-(2-methylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8827004
N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide
CID 19993656
N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826976
N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8717579
[2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride
CID 19993657
N-(2-anilinophenyl)-2-phenoxyacetamide
CID 23903366
2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 8826970
ethyl N-(2-anilinophenyl)carbamate
CID 12930175
N-(2-anilinophenyl)-2-phenylmethoxyacetamide
CID 112770108

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride?
The IUPAC name of N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride (CID 19993624) is N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride.
What is the SMILES notation for N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride?
The canonical SMILES for N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride is Cc1cccc[n+]1CC(=O)Nc1ccccc1Nc1ccccc1.[Cl-].
What is the InChIKey of N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride?
The InChIKey is OHNNDQHIIRIXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O.ClH/c1-16-9-7-8-14-23(16)15-20(24)22-19-13-6-5-12-18(19)21-17-10-3-2-4-11-17;/h2-14,21H,15H2,1H3;1H.
What are the key properties of N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride?
N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride has a molecular weight of 353.85 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride is sourced from PubChem (CID 19993624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).