N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

C14H9ClF2N2O4 — CID 8873509

IUPACN-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H9ClF2N2O4/c15-8-1-3-11(10(17)5-8)18-14(20)7-23-13-6-9(16)2-4-12(13)19(21)22/h1-6H,7H2,(H,18,20)
InChIKeyTWZBZERRFXVGJM-UHFFFAOYSA-N
MW342.69 g/mol
LogP3.54
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 8873509) has the molecular formula C14H9ClF2N2O4 and a molecular weight of 342.69 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID8873509
Molecular FormulaC14H9ClF2N2O4
Molecular Weight342.69 g/mol
Exact Mass342.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H9ClF2N2O4/c15-8-1-3-11(10(17)5-8)18-14(20)7-23-13-6-9(16)2-4-12(13)19(21)22/h1-6H,7H2,(H,18,20)
InChIKeyTWZBZERRFXVGJM-UHFFFAOYSA-N
XLogP3.54
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.69
LogP ≤ 53.54
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

N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide
CID 4841472
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846258
N-[2-(4-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2691003
N-(4-chloro-2-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 7961385
2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7846247
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910
2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide
CID 43039311

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 8873509) is N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is TWZBZERRFXVGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O4/c15-8-1-3-11(10(17)5-8)18-14(20)7-23-13-6-9(16)2-4-12(13)19(21)22/h1-6H,7H2,(H,18,20).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 342.69 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 8873509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).