N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

C18H19FN2O4 — CID 78289991

IUPACN-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCCC(C)c1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19FN2O4/c1-3-12(2)13-4-7-15(8-5-13)20-18(22)11-25-17-10-14(19)6-9-16(17)21(23)24/h4-10,12H,3,11H2,1-2H3,(H,20,22)
InChIKeyFWNJBABZVNZZMK-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.26
Rot. Bonds7

About N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 78289991) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID78289991
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCCC(C)c1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19FN2O4/c1-3-12(2)13-4-7-15(8-5-13)20-18(22)11-25-17-10-14(19)6-9-16(17)21(23)24/h4-10,12H,3,11H2,1-2H3,(H,20,22)
InChIKeyFWNJBABZVNZZMK-UHFFFAOYSA-N
XLogP4.26
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.26
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-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
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-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide
CID 7438373
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931927
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690932
2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2565697
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide
CID 26814603
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 2615459
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 16958828

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 78289991) is N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is CCC(C)c1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is FWNJBABZVNZZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-3-12(2)13-4-7-15(8-5-13)20-18(22)11-25-17-10-14(19)6-9-16(17)21(23)24/h4-10,12H,3,11H2,1-2H3,(H,20,22).
What are the key properties of N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 346.36 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 78289991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).