N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide

C14H13Cl2N2O+ — CID 4624473

IUPACN-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cc[n+](CC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O/c1-10-4-6-18(7-5-10)9-14(19)17-13-8-11(15)2-3-12(13)16/h2-8H,9H2,1H3/p+1
InChIKeyYGOHNLUYXIDKFQ-UHFFFAOYSA-O
MW296.18 g/mol
LogP3.23
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide

N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 4624473) has the molecular formula C14H13Cl2N2O+ and a molecular weight of 296.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
PubChem CID4624473
Molecular FormulaC14H13Cl2N2O+
Molecular Weight296.18 g/mol
Exact Mass295.04
IUPAC NameN-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cc[n+](CC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O/c1-10-4-6-18(7-5-10)9-14(19)17-13-8-11(15)2-3-12(13)16/h2-8H,9H2,1H3/p+1
InChIKeyYGOHNLUYXIDKFQ-UHFFFAOYSA-O
XLogP3.23
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 53.23
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-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 30234663
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide chloride
CID 42997088
N-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)acetamide
CID 54813314
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
N-(2,5-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 108993299
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide
CID 3165632
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N-(2,5-dichlorophenyl)heptanamide
CID 3294645

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (CID 4624473) is N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is Cc1cc[n+](CC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is YGOHNLUYXIDKFQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H12Cl2N2O/c1-10-4-6-18(7-5-10)9-14(19)17-13-8-11(15)2-3-12(13)16/h2-8H,9H2,1H3/p+1.
What are the key properties of N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 296.18 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 4624473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).