2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide

C17H17FN2O4 — CID 2569169

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])NCCCc1ccccc1
InChIInChI=1S/C17H17FN2O4/c18-14-8-9-15(20(22)23)16(11-14)24-12-17(21)19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,19,21)
InChIKeyZDQWWKJBUMXVEJ-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.86
Rot. Bonds8

About 2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide

2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide (PubChem CID 2569169) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide
PubChem CID2569169
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])NCCCc1ccccc1
InChIInChI=1S/C17H17FN2O4/c18-14-8-9-15(20(22)23)16(11-14)24-12-17(21)19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,19,21)
InChIKeyZDQWWKJBUMXVEJ-UHFFFAOYSA-N
XLogP2.86
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 1185801
(3R)-3-[(S)-(2-nitrophenoxy)-phenylmethyl]pyrrolidine
CID 71562476
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chloro-2-nitrophenoxy)acetamide
CID 164946774
1-[(2-Nitrophenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 717250
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2568109
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
N-(1-cyanocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 8285101
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-nitrophenoxy)acetamide
CID 16322266
2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 11056631
(2E)-N-[2-(4-fluorophenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 5292175

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide (CID 2569169) is 2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])NCCCc1ccccc1.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide?
The InChIKey is ZDQWWKJBUMXVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c18-14-8-9-15(20(22)23)16(11-14)24-12-17(21)19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,19,21).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide?
2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide has a molecular weight of 332.33 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2569169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).