2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

C16H24FNO — CID 78800383

IUPAC2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-15(2,3)11-16(4,5)18-14(19)10-12-7-6-8-13(17)9-12/h6-9H,10-11H2,1-5H3,(H,18,19)
InChIKeyQFBMBUQLYHPOSY-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.70
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 78800383) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID78800383
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-15(2,3)11-16(4,5)18-14(19)10-12-7-6-8-13(17)9-12/h6-9H,10-11H2,1-5H3,(H,18,19)
InChIKeyQFBMBUQLYHPOSY-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 43434198
1-(3-fluorophenyl)-6,6-dimethylheptane-2,4-dione
CID 58474328
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide
CID 39963780
2-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481585
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
CID 107157057
ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide
CID 143768641
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
1-(4-tert-butylphenyl)-3-(3-fluorophenyl)propan-2-one
CID 63409516
2-(3-fluorophenyl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64793447
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 78800383) is 2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC(C)(C)CC(C)(C)NC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is QFBMBUQLYHPOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-15(2,3)11-16(4,5)18-14(19)10-12-7-6-8-13(17)9-12/h6-9H,10-11H2,1-5H3,(H,18,19).
What are the key properties of 2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 265.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 78800383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).