N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide

C12H16FN3O4 — CID 119523608

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide
SMILESCC(C)(CN)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C12H16FN3O4/c1-12(2,7-14)15-11(17)6-20-8-3-4-10(16(18)19)9(13)5-8/h3-5H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyUHVBETSFIPACFI-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.97
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide

N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide (PubChem CID 119523608) has the molecular formula C12H16FN3O4 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide
PubChem CID119523608
Molecular FormulaC12H16FN3O4
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide
SMILESCC(C)(CN)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C12H16FN3O4/c1-12(2,7-14)15-11(17)6-20-8-3-4-10(16(18)19)9(13)5-8/h3-5H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyUHVBETSFIPACFI-UHFFFAOYSA-N
XLogP0.97
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
CID 119384116
N-(cyanomethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 78989504
N-butan-2-yl-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 47449672
N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 119567004
[6-(3-fluoro-4-nitrophenoxy)-2-methylhexan-2-yl]carbamic acid
CID 175236486
N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene
CID 106440888
2-(3-fluoro-4-nitrophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829431
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
CID 119526498
N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 119523767
(E)-4-(3-fluoro-4-nitrophenoxy)-3-methylbut-2-enoic acid
CID 55236912
4-(3-fluoro-4-nitrophenoxy)-2,2-dimethylbutanoic acid
CID 65247608

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide (CID 119523608) is N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide is CC(C)(CN)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide?
The InChIKey is UHVBETSFIPACFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O4/c1-12(2,7-14)15-11(17)6-20-8-3-4-10(16(18)19)9(13)5-8/h3-5H,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide?
N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide has a molecular weight of 285.28 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide is sourced from PubChem (CID 119523608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).