2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide

C16H14ClFN2O4 — CID 9212730

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESCc1cc(Cl)cc(C)c1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClFN2O4/c1-9-5-11(17)6-10(2)16(9)24-8-15(21)19-12-3-4-13(18)14(7-12)20(22)23/h3-7H,8H2,1-2H3,(H,19,21)
InChIKeyJPQSXAOOPUANQZ-UHFFFAOYSA-N
MW352.75 g/mol
LogP4.02
Rot. Bonds5

About 2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide

2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide (PubChem CID 9212730) has the molecular formula C16H14ClFN2O4 and a molecular weight of 352.75 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
PubChem CID9212730
Molecular FormulaC16H14ClFN2O4
Molecular Weight352.75 g/mol
Exact Mass352.06
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESCc1cc(Cl)cc(C)c1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClFN2O4/c1-9-5-11(17)6-10(2)16(9)24-8-15(21)19-12-3-4-13(18)14(7-12)20(22)23/h3-7H,8H2,1-2H3,(H,19,21)
InChIKeyJPQSXAOOPUANQZ-UHFFFAOYSA-N
XLogP4.02
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 54.02
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-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 7973800
2-(3-chlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 26696782
N-(4-fluoro-3-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7478517
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112787411
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776180
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234836
N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 7707047
2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4845177
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide (CID 9212730) is 2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide is Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide?
The InChIKey is JPQSXAOOPUANQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O4/c1-9-5-11(17)6-10(2)16(9)24-8-15(21)19-12-3-4-13(18)14(7-12)20(22)23/h3-7H,8H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide?
2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide has a molecular weight of 352.75 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide is sourced from PubChem (CID 9212730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).