2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide

C15H13FN2O5 — CID 46484655

IUPAC2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2F)c1
InChIInChI=1S/C15H13FN2O5/c1-22-12-4-2-3-10(7-12)17-15(19)9-23-14-6-5-11(18(20)21)8-13(14)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyFKDYSFPKIIWNCT-UHFFFAOYSA-N
MW320.28 g/mol
LogP2.76
Rot. Bonds6

About 2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide

2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide (PubChem CID 46484655) has the molecular formula C15H13FN2O5 and a molecular weight of 320.28 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide
PubChem CID46484655
Molecular FormulaC15H13FN2O5
Molecular Weight320.28 g/mol
Exact Mass320.08
IUPAC Name2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2F)c1
InChIInChI=1S/C15H13FN2O5/c1-22-12-4-2-3-10(7-12)17-15(19)9-23-14-6-5-11(18(20)21)8-13(14)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyFKDYSFPKIIWNCT-UHFFFAOYSA-N
XLogP2.76
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-(3-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4818074
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(3-methylphenyl)acetamide
CID 7519396
N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112787411
N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 8700662
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide (CID 46484655) is 2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2F)c1.
What is the InChIKey of 2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide?
The InChIKey is FKDYSFPKIIWNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O5/c1-22-12-4-2-3-10(7-12)17-15(19)9-23-14-6-5-11(18(20)21)8-13(14)16/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide?
2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide has a molecular weight of 320.28 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 46484655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).