N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride

C14H14Cl2N2O — CID 23724254

IUPACN-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride
SMILESCc1ccc[n+](CC(=O)Nc2cccc(Cl)c2)c1.[Cl-]
InChIInChI=1S/C14H13ClN2O.ClH/c1-11-4-3-7-17(9-11)10-14(18)16-13-6-2-5-12(15)8-13;/h2-9H,10H2,1H3;1H
InChIKeyBXYOZSYNUUQXSR-UHFFFAOYSA-N
MW297.19 g/mol
LogP-0.42
Rot. Bonds3

About N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride

N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride (PubChem CID 23724254) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride
PubChem CID23724254
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC NameN-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride
SMILESCc1ccc[n+](CC(=O)Nc2cccc(Cl)c2)c1.[Cl-]
InChIInChI=1S/C14H13ClN2O.ClH/c1-11-4-3-7-17(9-11)10-14(18)16-13-6-2-5-12(15)8-13;/h2-9H,10H2,1H3;1H
InChIKeyBXYOZSYNUUQXSR-UHFFFAOYSA-N
XLogP-0.42
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 5-0.42
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

CID 836002
CID 836002
CID 59843549
CID 59843549
CID 668893
CID 668893
CID 2815694
CID 2815694
CID 23724234
CID 23724234
CID 898797
CID 898797
CID 676085
CID 676085
CID 887990
CID 887990
CID 1473079
CID 1473079
CID 2576489
CID 2576489
CID 3117747
CID 3117747
CID 6464848
CID 6464848

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
The IUPAC name of N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride (CID 23724254) is N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
The canonical SMILES for N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride is Cc1ccc[n+](CC(=O)Nc2cccc(Cl)c2)c1.[Cl-].
What is the InChIKey of N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
The InChIKey is BXYOZSYNUUQXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O.ClH/c1-11-4-3-7-17(9-11)10-14(18)16-13-6-2-5-12(15)8-13;/h2-9H,10H2,1H3;1H.
What are the key properties of N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride has a molecular weight of 297.19 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride is sourced from PubChem (CID 23724254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).