N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

C18H19FN2O4 — CID 7438477

IUPACN-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19FN2O4/c1-18(2,3)12-4-7-14(8-5-12)20-17(22)11-25-16-10-13(19)6-9-15(16)21(23)24/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyDEOYDSJAYUPZJJ-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.05
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 7438477) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID7438477
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19FN2O4/c1-18(2,3)12-4-7-14(8-5-12)20-17(22)11-25-16-10-13(19)6-9-15(16)21(23)24/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyDEOYDSJAYUPZJJ-UHFFFAOYSA-N
XLogP4.05
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.05
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-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 78289991
N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide
CID 7438373
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7789063
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-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide
CID 112774602
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide
CID 26814603
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690932
4-tert-butyl-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 3894529

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 7438477) is N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is CC(C)(C)c1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is DEOYDSJAYUPZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-18(2,3)12-4-7-14(8-5-12)20-17(22)11-25-16-10-13(19)6-9-15(16)21(23)24/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 346.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 7438477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).