2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide

C14H10Cl3N3O4 — CID 4587350

IUPAC2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])n1
InChIInChI=1S/C14H10Cl3N3O4/c1-7-2-3-12(14(18-7)20(22)23)24-6-13(21)19-11-5-9(16)8(15)4-10(11)17/h2-5H,6H2,1H3,(H,19,21)
InChIKeyINWFPTMIPIOLIK-UHFFFAOYSA-N
MW390.61 g/mol
LogP4.28
Rot. Bonds5

About 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide

2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 4587350) has the molecular formula C14H10Cl3N3O4 and a molecular weight of 390.61 g/mol. Its IUPAC name is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID4587350
Molecular FormulaC14H10Cl3N3O4
Molecular Weight390.61 g/mol
Exact Mass388.97
IUPAC Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])n1
InChIInChI=1S/C14H10Cl3N3O4/c1-7-2-3-12(14(18-7)20(22)23)24-6-13(21)19-11-5-9(16)8(15)4-10(11)17/h2-5H,6H2,1H3,(H,19,21)
InChIKeyINWFPTMIPIOLIK-UHFFFAOYSA-N
XLogP4.28
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4788672
N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4817365
N-[4-(dimethylamino)phenyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 3969167
N-(3-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4818074
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide
CID 4007812
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide
CID 3882767
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 7567738
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2,4,5-trimethylphenyl)ethanone
CID 4039175
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4963446
N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 17427447
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide (CID 4587350) is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide is Cc1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])n1.
What is the InChIKey of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is INWFPTMIPIOLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3O4/c1-7-2-3-12(14(18-7)20(22)23)24-6-13(21)19-11-5-9(16)8(15)4-10(11)17/h2-5H,6H2,1H3,(H,19,21).
What are the key properties of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide?
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 390.61 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 4587350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).