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

C14H10F2N2O4 — CID 41161775

IUPACN-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H10F2N2O4/c15-9-5-10(16)7-11(6-9)17-14(19)8-22-13-4-2-1-3-12(13)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyMRSIMPZEGXJDFI-UHFFFAOYSA-N
MW308.24 g/mol
LogP2.89
Rot. Bonds5

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

N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 41161775) has the molecular formula C14H10F2N2O4 and a molecular weight of 308.24 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID41161775
Molecular FormulaC14H10F2N2O4
Molecular Weight308.24 g/mol
Exact Mass308.06
IUPAC NameN-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H10F2N2O4/c15-9-5-10(16)7-11(6-9)17-14(19)8-22-13-4-2-1-3-12(13)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyMRSIMPZEGXJDFI-UHFFFAOYSA-N
XLogP2.89
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 52.89
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-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7900288
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N-(4-fluoro-3-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7478517
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626465
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide (CID 41161775) is N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is MRSIMPZEGXJDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O4/c15-9-5-10(16)7-11(6-9)17-14(19)8-22-13-4-2-1-3-12(13)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide?
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 308.24 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 41161775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).