N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

C14H9F3N2O4 — CID 2690908

IUPACN-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H9F3N2O4/c15-8-1-4-12(19(21)22)13(5-8)23-7-14(20)18-9-2-3-10(16)11(17)6-9/h1-6H,7H2,(H,18,20)
InChIKeySBVLZVIFODGSBJ-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.03
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 2690908) has the molecular formula C14H9F3N2O4 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID2690908
Molecular FormulaC14H9F3N2O4
Molecular Weight326.23 g/mol
Exact Mass326.05
IUPAC NameN-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H9F3N2O4/c15-8-1-4-12(19(21)22)13(5-8)23-7-14(20)18-9-2-3-10(16)11(17)6-9/h1-6H,7H2,(H,18,20)
InChIKeySBVLZVIFODGSBJ-UHFFFAOYSA-N
XLogP3.03
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.03
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-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
N-(4-fluoro-3-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7478517
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 78289991
2-(5-fluoro-2-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7846097
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 16958828
2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2565697
2-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769
N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide
CID 7438373
N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 9212015

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 2690908) is N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is SBVLZVIFODGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O4/c15-8-1-4-12(19(21)22)13(5-8)23-7-14(20)18-9-2-3-10(16)11(17)6-9/h1-6H,7H2,(H,18,20).
What are the key properties of N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 326.23 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 2690908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).