2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

C17H17FN2O5 — CID 8873483

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)COc2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C17H17FN2O5/c1-19(10-12-4-3-5-14(8-12)24-2)17(21)11-25-16-9-13(18)6-7-15(16)20(22)23/h3-9H,10-11H2,1-2H3
InChIKeyOBPSTDXBXHLAEV-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.78
Rot. Bonds7

About 2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 8873483) has the molecular formula C17H17FN2O5 and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID8873483
Molecular FormulaC17H17FN2O5
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)COc2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C17H17FN2O5/c1-19(10-12-4-3-5-14(8-12)24-2)17(21)11-25-16-9-13(18)6-7-15(16)20(22)23/h3-9H,10-11H2,1-2H3
InChIKeyOBPSTDXBXHLAEV-UHFFFAOYSA-N
XLogP2.78
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
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'}

Analyze 2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 60608890
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 78911810
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 112779333
N-benzyl-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide
CID 48845505
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
CID 2690888
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24570004
2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 9482694
2-(2,6-dichlorophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112786345
2-(5-fluoro-2-nitrophenoxy)-1-(2-methoxyphenyl)ethanone
CID 8873297
(5-fluoro-2-nitrophenyl) 3-methoxybenzoate
CID 530765

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (CID 8873483) is 2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is COc1cccc(CN(C)C(=O)COc2cc(F)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is OBPSTDXBXHLAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5/c1-19(10-12-4-3-5-14(8-12)24-2)17(21)11-25-16-9-13(18)6-7-15(16)20(22)23/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 348.33 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 8873483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).