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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Related Compounds

2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide
CID 115432721
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]-2-ethylbutanamide
CID 115432411
2-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 61267029
3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81348452
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
CID 115432548
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81347208
2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81348111
1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603501
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248453
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591

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).