2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide

C20H17FN2O4 — CID 55733783

IUPAC2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(NC(=O)COc1ccc([N+](=O)[O-])cc1F)c1ccc2ccccc2c1
InChIInChI=1S/C20H17FN2O4/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)22-20(24)12-27-19-9-8-17(23(25)26)11-18(19)21/h2-11,13H,12H2,1H3,(H,22,24)
InChIKeyJOXBJTZFNWYVEK-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.14
Rot. Bonds6

About 2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide

2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide (PubChem CID 55733783) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
PubChem CID55733783
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(NC(=O)COc1ccc([N+](=O)[O-])cc1F)c1ccc2ccccc2c1
InChIInChI=1S/C20H17FN2O4/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)22-20(24)12-27-19-9-8-17(23(25)26)11-18(19)21/h2-11,13H,12H2,1H3,(H,22,24)
InChIKeyJOXBJTZFNWYVEK-UHFFFAOYSA-N
XLogP4.14
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7866101
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 42900557
2-(2-chloro-4-nitrophenoxy)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7509267
2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599158
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
2-(3,5-dimethoxyphenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7714005
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8587779
N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide
CID 100712098
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932009
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932010

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide (CID 55733783) is 2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide is CC(NC(=O)COc1ccc([N+](=O)[O-])cc1F)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide?
The InChIKey is JOXBJTZFNWYVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)22-20(24)12-27-19-9-8-17(23(25)26)11-18(19)21/h2-11,13H,12H2,1H3,(H,22,24).
What are the key properties of 2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide?
2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide has a molecular weight of 368.36 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 55733783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).