N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

C16H16FN3O4 — CID 4963446

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C16H16FN3O4/c1-11-2-7-14(16(19-11)20(22)23)24-10-15(21)18-9-8-12-3-5-13(17)6-4-12/h2-7H,8-10H2,1H3,(H,18,21)
InChIKeyPRLIYSZOJNIBSC-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.18
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 4963446) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID4963446
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C16H16FN3O4/c1-11-2-7-14(16(19-11)20(22)23)24-10-15(21)18-9-8-12-3-5-13(17)6-4-12/h2-7H,8-10H2,1H3,(H,18,21)
InChIKeyPRLIYSZOJNIBSC-UHFFFAOYSA-N
XLogP2.18
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide
CID 4007812
N-[2-(4-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2691003
N-(2,5-dimethylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4788672
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690970
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide
CID 3882767
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 4587350
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
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 40739919
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide
CID 38878415

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (CID 4963446) is N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is Cc1ccc(OCC(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is PRLIYSZOJNIBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c1-11-2-7-14(16(19-11)20(22)23)24-10-15(21)18-9-8-12-3-5-13(17)6-4-12/h2-7H,8-10H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 333.32 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 4963446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).