2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide

C17H12FN3O4 — CID 43039311

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cccc2ncccc12
InChIInChI=1S/C17H12FN3O4/c18-11-6-7-15(21(23)24)16(9-11)25-10-17(22)20-14-5-1-4-13-12(14)3-2-8-19-13/h1-9H,10H2,(H,20,22)
InChIKeyJCLVQRSFMRGTNH-UHFFFAOYSA-N
MW341.30 g/mol
LogP3.30
Rot. Bonds5

About 2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide

2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide (PubChem CID 43039311) has the molecular formula C17H12FN3O4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide
PubChem CID43039311
Molecular FormulaC17H12FN3O4
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cccc2ncccc12
InChIInChI=1S/C17H12FN3O4/c18-11-6-7-15(21(23)24)16(9-11)25-10-17(22)20-14-5-1-4-13-12(14)3-2-8-19-13/h1-9H,10H2,(H,20,22)
InChIKeyJCLVQRSFMRGTNH-UHFFFAOYSA-N
XLogP3.30
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 53.30
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

N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910
2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7846247
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690932
2-(2-ethylphenoxy)-N-quinolin-5-ylacetamide
CID 2524325
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methyl-3-nitrobenzoate
CID 41353083
dimethyl 2-[[2-(5-fluoro-2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 2690933
2-(2,5-dichlorophenoxy)-N-quinolin-5-ylacetamide
CID 46664559
N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846258
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide (CID 43039311) is 2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cccc2ncccc12.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide?
The InChIKey is JCLVQRSFMRGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O4/c18-11-6-7-15(21(23)24)16(9-11)25-10-17(22)20-14-5-1-4-13-12(14)3-2-8-19-13/h1-9H,10H2,(H,20,22).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide?
2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide has a molecular weight of 341.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide is sourced from PubChem (CID 43039311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).