N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H17FN2O2 — CID 28995368

IUPACN-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O2/c1-12(2,3)17-7-11(16)15-8-4-5-9(13)10(14)6-8/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyVBFPWDOXENRSIV-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.16
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 28995368) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID28995368
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O2/c1-12(2,3)17-7-11(16)15-8-4-5-9(13)10(14)6-8/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyVBFPWDOXENRSIV-UHFFFAOYSA-N
XLogP2.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950267
2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
CID 112602052
N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231993
N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 43554704
N-(3-amino-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63834446
N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995533
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide
CID 64728371
N-(4-hydroxy-3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602921
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 28995368) is N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is VBFPWDOXENRSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-12(2,3)17-7-11(16)15-8-4-5-9(13)10(14)6-8/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 240.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 28995368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).