N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide

C17H16F2N2O4 — CID 55849368

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16F2N2O4/c1-11(9-14-15(18)3-2-4-16(14)19)20-17(22)10-25-13-7-5-12(6-8-13)21(23)24/h2-8,11H,9-10H2,1H3,(H,20,22)
InChIKeyXCMJTKDETMRRHZ-UHFFFAOYSA-N
MW350.32 g/mol
LogP3.00
Rot. Bonds7

About N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide

N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide (PubChem CID 55849368) has the molecular formula C17H16F2N2O4 and a molecular weight of 350.32 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide
PubChem CID55849368
Molecular FormulaC17H16F2N2O4
Molecular Weight350.32 g/mol
Exact Mass350.11
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16F2N2O4/c1-11(9-14-15(18)3-2-4-16(14)19)20-17(22)10-25-13-7-5-12(6-8-13)21(23)24/h2-8,11H,9-10H2,1H3,(H,20,22)
InChIKeyXCMJTKDETMRRHZ-UHFFFAOYSA-N
XLogP3.00
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 53.00
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-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide
CID 60708304
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7769987
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
2-methyl-3-[[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62675493
N-butan-2-yl-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 47449672
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770488
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7816643

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide (CID 55849368) is N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide is CC(Cc1c(F)cccc1F)NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is XCMJTKDETMRRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4/c1-11(9-14-15(18)3-2-4-16(14)19)20-17(22)10-25-13-7-5-12(6-8-13)21(23)24/h2-8,11H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 350.32 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 55849368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).