2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide

C20H16ClFN2O3 — CID 170241443

IUPAC2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccc[n+]([O-])c2)c(Oc2ccc(F)cc2C)c1
InChIInChI=1S/C20H16ClFN2O3/c1-12-8-16(21)19(20(25)23-15-4-3-7-24(26)11-15)18(9-12)27-17-6-5-14(22)10-13(17)2/h3-11H,1-2H3,(H,23,25)
InChIKeyDFBIVSYRZBLZML-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.77
Rot. Bonds4

About 2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide

2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide (PubChem CID 170241443) has the molecular formula C20H16ClFN2O3 and a molecular weight of 386.81 g/mol. Its IUPAC name is 2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide
PubChem CID170241443
Molecular FormulaC20H16ClFN2O3
Molecular Weight386.81 g/mol
Exact Mass386.08
IUPAC Name2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccc[n+]([O-])c2)c(Oc2ccc(F)cc2C)c1
InChIInChI=1S/C20H16ClFN2O3/c1-12-8-16(21)19(20(25)23-15-4-3-7-24(26)11-15)18(9-12)27-17-6-5-14(22)10-13(17)2/h3-11H,1-2H3,(H,23,25)
InChIKeyDFBIVSYRZBLZML-UHFFFAOYSA-N
XLogP4.77
TPSA65.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)-N-(1-oxidopyridin-1-ium-3-yl)-4-(trifluoromethyl)benzamide
CID 167320450
3-(4-fluoro-2-methylphenoxy)-N-(1-oxidopyridin-1-ium-3-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199270
2-fluoro-6-[2-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]-3-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide
CID 170241441
N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide
CID 137406555
6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-2-methyl-N-(1-oxidopyridin-1-ium-3-yl)-3-(trifluoromethyl)benzamide
CID 169207661
2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 90467489
N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide
CID 169097081
4-bromo-N-(3-cyano-4-fluorophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzamide
CID 169097118
2-(2-chloro-4-methoxyphenoxy)-N-(1-oxidopyridin-1-ium-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151322450
methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate
CID 167111923
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
5-chloro-2-[4-fluoro-2-(trifluoromethoxy)phenoxy]-N-(1-hydroxypyridin-1-ium-3-yl)-4-(trifluoromethyl)benzamide
CID 167320519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide?
The IUPAC name of 2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide (CID 170241443) is 2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide.
What is the SMILES notation for 2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide?
The canonical SMILES for 2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide is Cc1cc(Cl)c(C(=O)Nc2ccc[n+]([O-])c2)c(Oc2ccc(F)cc2C)c1.
What is the InChIKey of 2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide?
The InChIKey is DFBIVSYRZBLZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3/c1-12-8-16(21)19(20(25)23-15-4-3-7-24(26)11-15)18(9-12)27-17-6-5-14(22)10-13(17)2/h3-11H,1-2H3,(H,23,25).
What are the key properties of 2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide?
2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide has a molecular weight of 386.81 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide is sourced from PubChem (CID 170241443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).