N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide

C15H13FN2O5 — CID 112787411

IUPACN-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H13FN2O5/c1-22-11-3-2-4-12(8-11)23-9-15(19)17-10-5-6-13(16)14(7-10)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyRQGSILKNORGQIX-UHFFFAOYSA-N
MW320.28 g/mol
LogP2.76
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide

N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 112787411) has the molecular formula C15H13FN2O5 and a molecular weight of 320.28 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
PubChem CID112787411
Molecular FormulaC15H13FN2O5
Molecular Weight320.28 g/mol
Exact Mass320.08
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H13FN2O5/c1-22-11-3-2-4-12(8-11)23-9-15(19)17-10-5-6-13(16)14(7-10)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyRQGSILKNORGQIX-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-(3-chlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 26696782
N-(4-fluoro-3-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7478517
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-2-phenoxyacetamide
CID 3954462
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 9076945
2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 9212730
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776180
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 7707047
2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide
CID 46484655
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide (CID 112787411) is N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is RQGSILKNORGQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O5/c1-22-11-3-2-4-12(8-11)23-9-15(19)17-10-5-6-13(16)14(7-10)18(20)21/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide?
N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)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 N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 112787411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).