N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide

C15H22FNO — CID 47023720

IUPACN-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide
SMILESCC(N(C)C(=O)Cc1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C15H22FNO/c1-11(15(2,3)4)17(5)14(18)10-12-7-6-8-13(16)9-12/h6-9,11H,10H2,1-5H3
InChIKeySFYGDSAFAAVTBB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.26
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide

N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide (PubChem CID 47023720) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide
PubChem CID47023720
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide
SMILESCC(N(C)C(=O)Cc1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C15H22FNO/c1-11(15(2,3)4)17(5)14(18)10-12-7-6-8-13(16)9-12/h6-9,11H,10H2,1-5H3
InChIKeySFYGDSAFAAVTBB-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide
CID 63393863
2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 42945810
1-(3-fluorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 103455309
3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one
CID 79062956
3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid
CID 62821222
2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54917289
N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide
CID 46537955
2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide
CID 54538420
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 87002258
5-(2-aminoethyl)-1-(3-fluorophenyl)-6,6-dimethylheptan-2-one
CID 116578361
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(3-fluorophenyl)acetamide
CID 79668064
2-(3-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 38763351

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide (CID 47023720) is N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide is CC(N(C)C(=O)Cc1cccc(F)c1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide?
The InChIKey is SFYGDSAFAAVTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(15(2,3)4)17(5)14(18)10-12-7-6-8-13(16)9-12/h6-9,11H,10H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide?
N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide has a molecular weight of 251.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 47023720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).