N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide

C15H13FN2O5S — CID 8520584

IUPACN-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])s1
InChIInChI=1S/C15H13FN2O5S/c1-9(19)17-7-11-3-5-15(24-11)13(20)8-23-14-6-10(16)2-4-12(14)18(21)22/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyWWIJTNRJPSFRQJ-UHFFFAOYSA-N
MW352.34 g/mol
LogP2.69
Rot. Bonds7

About N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 8520584) has the molecular formula C15H13FN2O5S and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
PubChem CID8520584
Molecular FormulaC15H13FN2O5S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC NameN-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])s1
InChIInChI=1S/C15H13FN2O5S/c1-9(19)17-7-11-3-5-15(24-11)13(20)8-23-14-6-10(16)2-4-12(14)18(21)22/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyWWIJTNRJPSFRQJ-UHFFFAOYSA-N
XLogP2.69
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 31982134
2-(5-fluoro-2-nitrophenoxy)-1-(2-methoxyphenyl)ethanone
CID 8873297
N-[[5-[2-(2-chloro-5-methylphenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 78800846
N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 8509645
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 31118152
N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide
CID 7438373
2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222190
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 78911810
1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol
CID 60879350
N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide
CID 55764758
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 2564498
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide (CID 8520584) is N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])s1.
What is the InChIKey of N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is WWIJTNRJPSFRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O5S/c1-9(19)17-7-11-3-5-15(24-11)13(20)8-23-14-6-10(16)2-4-12(14)18(21)22/h2-6H,7-8H2,1H3,(H,17,19).
What are the key properties of N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 352.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 8520584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).