2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid

C₃₃H₃₆Cl₅F₂N₅O₈S — CID 122424078

About 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid

2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid (PubChem CID 122424078) has the molecular formula C₃₃H₃₆Cl₅F₂N₅O₈S and a molecular weight of 878.01 g/mol. Its IUPAC name is 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid.

Molecular Properties

• Compound Name: 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid
• PubChem CID: 122424078
• Molecular Formula: C₃₃H₃₆Cl₅F₂N₅O₈S
• Molecular Weight: 878.01 g/mol
• Exact Mass: 875.07
• IUPAC Name: 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid
• SMILES: CCOCN(C(=O)CCl)c1c(C)cccc1CC.COc1c(Cl)ccc(Cl)c1C(=O)O.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
• InChI: InChI=1S/C14H20ClNO2.C11H10Cl2F2N4O3S.C8H6Cl2O3/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15;1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13;1-13-7-5(10)3-2-4(9)6(7)8(11)12/h6-8H,4-5,9-10H2,1-3H3;3-4,10,17H,1-2H3;2-3H,1H3,(H,11,12)
• InChIKey: UEOXQCRLVUKRLG-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 162.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.01
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid?

The IUPAC name of 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid (CID 122424078) is 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid.

What is the SMILES notation for 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid?

The canonical SMILES for 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid is CCOCN(C(=O)CCl)c1c(C)cccc1CC.COc1c(Cl)ccc(Cl)c1C(=O)O.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.

What is the InChIKey of 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid?

The InChIKey is UEOXQCRLVUKRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2.C11H10Cl2F2N4O3S.C8H6Cl2O3/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15;1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13;1-13-7-5(10)3-2-4(9)6(7)8(11)12/h6-8H,4-5,9-10H2,1-3H3;3-4,10,17H,1-2H3;2-3H,1H3,(H,11,12).

What are the key properties of 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid?

2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid has a molecular weight of 878.01 g/mol, XLogP of 8.24, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid is sourced from PubChem (CID 122424078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122424078 — identifiers, structure, computed properties (public domain)

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