2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide

C17H17ClN2O4 — CID 7979886

IUPAC2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17ClN2O4/c1-3-12-6-4-5-11(2)17(12)19-16(21)10-24-15-8-7-13(18)9-14(15)20(22)23/h4-9H,3,10H2,1-2H3,(H,19,21)
InChIKeyOPBNFYWQDGWMIV-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.14
Rot. Bonds6

About 2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide

2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 7979886) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID7979886
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17ClN2O4/c1-3-12-6-4-5-11(2)17(12)19-16(21)10-24-15-8-7-13(18)9-14(15)20(22)23/h4-9H,3,10H2,1-2H3,(H,19,21)
InChIKeyOPBNFYWQDGWMIV-UHFFFAOYSA-N
XLogP4.14
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602
2-(4-chloro-2-nitrophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7991036
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021074
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865149
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690932
2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate
CID 55320823
N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178089
N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7979841

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide (CID 7979886) is 2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is OPBNFYWQDGWMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-3-12-6-4-5-11(2)17(12)19-16(21)10-24-15-8-7-13(18)9-14(15)20(22)23/h4-9H,3,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 348.79 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 7979886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).