3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide

C16H25FN2O — CID 13761

IUPAC3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide
SMILESCCc1ccc(F)c(NC(=O)CC(C)N(CC)CC)c1
InChIInChI=1S/C16H25FN2O/c1-5-13-8-9-14(17)15(11-13)18-16(20)10-12(4)19(6-2)7-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyQIHSCMBOVQLWIW-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.45
Rot. Bonds7

About 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide

3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide (PubChem CID 13761) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide
PubChem CID13761
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide
SMILESCCc1ccc(F)c(NC(=O)CC(C)N(CC)CC)c1
InChIInChI=1S/C16H25FN2O/c1-5-13-8-9-14(17)15(11-13)18-16(20)10-12(4)19(6-2)7-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyQIHSCMBOVQLWIW-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide?
The IUPAC name of 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide (CID 13761) is 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide.
What is the SMILES notation for 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide?
The canonical SMILES for 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide is CCc1ccc(F)c(NC(=O)CC(C)N(CC)CC)c1.
What is the InChIKey of 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide?
The InChIKey is QIHSCMBOVQLWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-13-8-9-14(17)15(11-13)18-16(20)10-12(4)19(6-2)7-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,20).
What are the key properties of 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide?
3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide has a molecular weight of 280.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide is sourced from PubChem (CID 13761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).