2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

C17H16F2N2O4 — CID 24570004

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H16F2N2O4/c1-11(12-3-5-13(18)6-4-12)20(2)17(22)10-25-16-9-14(19)7-8-15(16)21(23)24/h3-9,11H,10H2,1-2H3
InChIKeyPCZCFIOEBIGXKO-UHFFFAOYSA-N
MW350.32 g/mol
LogP3.47
Rot. Bonds6

About 2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 24570004) has the molecular formula C17H16F2N2O4 and a molecular weight of 350.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID24570004
Molecular FormulaC17H16F2N2O4
Molecular Weight350.32 g/mol
Exact Mass350.11
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H16F2N2O4/c1-11(12-3-5-13(18)6-4-12)20(2)17(22)10-25-16-9-14(19)7-8-15(16)21(23)24/h3-9,11H,10H2,1-2H3
InChIKeyPCZCFIOEBIGXKO-UHFFFAOYSA-N
XLogP3.47
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
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'}

Analyze 2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-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-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(5-methyl-2-nitrophenoxy)acetamide
CID 51288135
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 78911810
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 78824888
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
CID 2690888
N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 60608890
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 87018491
N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 8564408
2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 8873483
methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate
CID 51928084
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 2638344
N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 78289991
2-[5-(dimethylamino)-2-nitrophenoxy]-1-(4-fluorophenyl)ethanol
CID 109417053

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 24570004) is 2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(F)cc1)N(C)C(=O)COc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is PCZCFIOEBIGXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4/c1-11(12-3-5-13(18)6-4-12)20(2)17(22)10-25-16-9-14(19)7-8-15(16)21(23)24/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 350.32 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 24570004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).