N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide

C11H14F2N2O2 — CID 112601922

IUPACN-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-6(2)17-5-10(16)15-11-8(13)3-7(12)4-9(11)14/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyOOTZPWNDESWQHO-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.91
Rot. Bonds4

About N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide

N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide (PubChem CID 112601922) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide
PubChem CID112601922
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC NameN-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-6(2)17-5-10(16)15-11-8(13)3-7(12)4-9(11)14/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyOOTZPWNDESWQHO-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.91
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-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205716
N-(2-amino-4,6-difluorophenyl)heptanamide
CID 114752030
N-(2-amino-4,6-difluorophenyl)octanamide
CID 81314143
N-(2-amino-4,6-difluorophenyl)-2-(2-fluorophenyl)acetamide
CID 81313560
N-(6-amino-2,3-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601814
N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601871
2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide
CID 112604411
3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea
CID 81310656
N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide
CID 81314780
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-propan-2-yloxyacetamide
CID 113355675
N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81313433
N-(2-amino-5-fluorophenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 43612006

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide (CID 112601922) is N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1c(N)cc(F)cc1F.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide?
The InChIKey is OOTZPWNDESWQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-6(2)17-5-10(16)15-11-8(13)3-7(12)4-9(11)14/h3-4,6H,5,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide?
N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide has a molecular weight of 244.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112601922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).