N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide

C14H19FN2O — CID 114632325

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide
SMILESCC1(C)C(N)CC1NC(=O)Cc1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-14(2)11(16)8-12(14)17-13(18)7-9-5-3-4-6-10(9)15/h3-6,11-12H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyZBQVJQBVFIRBDV-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.61
Rot. Bonds3

About N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide

N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide (PubChem CID 114632325) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide
PubChem CID114632325
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide
SMILESCC1(C)C(N)CC1NC(=O)Cc1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-14(2)11(16)8-12(14)17-13(18)7-9-5-3-4-6-10(9)15/h3-6,11-12H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyZBQVJQBVFIRBDV-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea
CID 114632529
N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide
CID 114632481
N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide
CID 114632478
2-(2-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114628289
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide
CID 114632369
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
N-(3-amino-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114632383
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 97028755

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide (CID 114632325) is N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide is CC1(C)C(N)CC1NC(=O)Cc1ccccc1F.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide?
The InChIKey is ZBQVJQBVFIRBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(2)11(16)8-12(14)17-13(18)7-9-5-3-4-6-10(9)15/h3-6,11-12H,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide?
N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide has a molecular weight of 250.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 114632325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).