2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C18H18FN3O6S — CID 2565697

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H18FN3O6S/c19-13-3-8-16(22(24)25)17(11-13)28-12-18(23)20-14-4-6-15(7-5-14)29(26,27)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2,(H,20,23)
InChIKeyIZKSCGJORZDWMD-UHFFFAOYSA-N
MW423.42 g/mol
LogP2.54
Rot. Bonds7

About 2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 2565697) has the molecular formula C18H18FN3O6S and a molecular weight of 423.42 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID2565697
Molecular FormulaC18H18FN3O6S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H18FN3O6S/c19-13-3-8-16(22(24)25)17(11-13)28-12-18(23)20-14-4-6-15(7-5-14)29(26,27)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2,(H,20,23)
InChIKeyIZKSCGJORZDWMD-UHFFFAOYSA-N
XLogP2.54
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 52.54
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

N-(3-fluorophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5172072
2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4810681
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
2-(5-fluoro-2-nitrophenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24526048
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide
CID 4931080
2-(5-fluoro-2-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7846097
2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1013950
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-methyl-4-nitrobenzoate
CID 42962839
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4313786
N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 78289991

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 2565697) is 2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is IZKSCGJORZDWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O6S/c19-13-3-8-16(22(24)25)17(11-13)28-12-18(23)20-14-4-6-15(7-5-14)29(26,27)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2,(H,20,23).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 423.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 2565697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).