2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide

C17H17FN2O4 — CID 4953312

IUPAC2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1
InChIInChI=1S/C17H17FN2O4/c1-3-12-4-7-14(8-5-12)24-11(2)17(21)19-16-10-13(20(22)23)6-9-15(16)18/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyQBSQYPXFWXPKPB-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.70
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide

2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide (PubChem CID 4953312) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
PubChem CID4953312
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1
InChIInChI=1S/C17H17FN2O4/c1-3-12-4-7-14(8-5-12)24-11(2)17(21)19-16-10-13(20(22)23)6-9-15(16)18/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyQBSQYPXFWXPKPB-UHFFFAOYSA-N
XLogP3.70
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.70
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

(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 9236398
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
(2S)-N-(4-ethylphenyl)-2-(3-nitrophenoxy)propanamide
CID 7864960
N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide
CID 2905787
2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 60528472
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
(2R)-N-(2,4-dichlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236171
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
CID 60779876
3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 55110565
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984294

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide (CID 4953312) is 2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide is CCc1ccc(OC(C)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide?
The InChIKey is QBSQYPXFWXPKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-3-12-4-7-14(8-5-12)24-11(2)17(21)19-16-10-13(20(22)23)6-9-15(16)18/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide?
2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide has a molecular weight of 332.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide is sourced from PubChem (CID 4953312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).