2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide

C16H24FNO — CID 117062720

IUPAC2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(CC)(CC)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-5-16(6-2,7-3)15(19)18-12(4)13-8-10-14(17)11-9-13/h8-12H,5-7H2,1-4H3,(H,18,19)
InChIKeyIFGFEZJWLUUKDH-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.22
Rot. Bonds6

About 2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide

2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide (PubChem CID 117062720) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide
PubChem CID117062720
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(CC)(CC)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-5-16(6-2,7-3)15(19)18-12(4)13-8-10-14(17)11-9-13/h8-12H,5-7H2,1-4H3,(H,18,19)
InChIKeyIFGFEZJWLUUKDH-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of 2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide (CID 117062720) is 2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide is CCC(CC)(CC)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is IFGFEZJWLUUKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-5-16(6-2,7-3)15(19)18-12(4)13-8-10-14(17)11-9-13/h8-12H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide?
2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide has a molecular weight of 265.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 117062720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).