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

C16H25FN2O — CID 12910

IUPAC4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide
SMILESCCc1ccc(F)c(NC(=O)CCCN(CC)CC)c1
InChIInChI=1S/C16H25FN2O/c1-4-13-9-10-14(17)15(12-13)18-16(20)8-7-11-19(5-2)6-3/h9-10,12H,4-8,11H2,1-3H3,(H,18,20)
InChIKeyODHBQAIPEVWZLU-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.45
Rot. Bonds8

About 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide

4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide (PubChem CID 12910) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide
PubChem CID12910
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide
SMILESCCc1ccc(F)c(NC(=O)CCCN(CC)CC)c1
InChIInChI=1S/C16H25FN2O/c1-4-13-9-10-14(17)15(12-13)18-16(20)8-7-11-19(5-2)6-3/h9-10,12H,4-8,11H2,1-3H3,(H,18,20)
InChIKeyODHBQAIPEVWZLU-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide?
The IUPAC name of 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide (CID 12910) is 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide.
What is the SMILES notation for 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide?
The canonical SMILES for 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide is CCc1ccc(F)c(NC(=O)CCCN(CC)CC)c1.
What is the InChIKey of 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide?
The InChIKey is ODHBQAIPEVWZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-13-9-10-14(17)15(12-13)18-16(20)8-7-11-19(5-2)6-3/h9-10,12H,4-8,11H2,1-3H3,(H,18,20).
What are the key properties of 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide?
4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide has a molecular weight of 280.39 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide is sourced from PubChem (CID 12910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).