N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide

C15H16ClN2O2+ — CID 8826900

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCOc1ccc(NC(=O)C[n+]2ccccc2C)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-11-5-3-4-8-18(11)10-15(19)17-12-6-7-14(20-2)13(16)9-12/h3-9H,10H2,1-2H3/p+1
InChIKeyJXTNFFBNJZPNIX-UHFFFAOYSA-O
MW291.76 g/mol
LogP2.58
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8826900) has the molecular formula C15H16ClN2O2+ and a molecular weight of 291.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8826900
Molecular FormulaC15H16ClN2O2+
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCOc1ccc(NC(=O)C[n+]2ccccc2C)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-11-5-3-4-8-18(11)10-15(19)17-12-6-7-14(20-2)13(16)9-12/h3-9H,10H2,1-2H3/p+1
InChIKeyJXTNFFBNJZPNIX-UHFFFAOYSA-O
XLogP2.58
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
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CID 4945268
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306824
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998357
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide (CID 8826900) is N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide is COc1ccc(NC(=O)C[n+]2ccccc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is JXTNFFBNJZPNIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15ClN2O2/c1-11-5-3-4-8-18(11)10-15(19)17-12-6-7-14(20-2)13(16)9-12/h3-9H,10H2,1-2H3/p+1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 291.76 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8826900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).