N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride

C15H16Cl2N2O2 — CID 24761067

IUPACN-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride
SMILESCOc1ccc(Cl)cc1NC(=O)C[n+]1cccc(C)c1.[Cl-]
InChIInChI=1S/C15H15ClN2O2.ClH/c1-11-4-3-7-18(9-11)10-15(19)17-13-8-12(16)5-6-14(13)20-2;/h3-9H,10H2,1-2H3;1H
InChIKeyDYFFNVWRVQDAIK-UHFFFAOYSA-N
MW327.21 g/mol
LogP-0.41
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride

N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride (PubChem CID 24761067) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride
PubChem CID24761067
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride
SMILESCOc1ccc(Cl)cc1NC(=O)C[n+]1cccc(C)c1.[Cl-]
InChIInChI=1S/C15H15ClN2O2.ClH/c1-11-4-3-7-18(9-11)10-15(19)17-13-8-12(16)5-6-14(13)20-2;/h3-9H,10H2,1-2H3;1H
InChIKeyDYFFNVWRVQDAIK-UHFFFAOYSA-N
XLogP-0.41
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 5-0.41
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-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 862098
(E)-N-(2-chloropyridin-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 935096
(E)-N-(2-chloropyridin-3-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 948732
1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 970515
1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 971862
2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-yl)acetamide
CID 3146340
2-(4-Chloro-3-methyl-phenoxy)-N-pyridin-3-yl-propionamide
CID 4206958
N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 767774
N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide
CID 2741694
N-(5-chloro-2-methoxyphenyl)-2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide
CID 72195223
N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide
CID 72195224
N'-(6-chloro-3-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 117948155

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride (CID 24761067) is N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride is COc1ccc(Cl)cc1NC(=O)C[n+]1cccc(C)c1.[Cl-].
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
The InChIKey is DYFFNVWRVQDAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2.ClH/c1-11-4-3-7-18(9-11)10-15(19)17-13-8-12(16)5-6-14(13)20-2;/h3-9H,10H2,1-2H3;1H.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride has a molecular weight of 327.21 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride is sourced from PubChem (CID 24761067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).