N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide

C14H20FNO — CID 110669323

IUPACN-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCN(CC(C)(C)C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-14(2,3)10-16(4)13(17)9-11-5-7-12(15)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyFHDCANYULTYPAJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.87
Rot. Bonds3

About N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide

N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide (PubChem CID 110669323) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
PubChem CID110669323
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCN(CC(C)(C)C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-14(2,3)10-16(4)13(17)9-11-5-7-12(15)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyFHDCANYULTYPAJ-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476089
methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate
CID 43407385
N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60892498
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243374
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79648191
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969
N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 119652327
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide (CID 110669323) is N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide is CN(CC(C)(C)C)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is FHDCANYULTYPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2,3)10-16(4)13(17)9-11-5-7-12(15)8-6-11/h5-8H,9-10H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide?
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 237.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 110669323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).