N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide

C17H20FNO2 — CID 2946691

IUPACN,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESCCN(CC)C(=O)CC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C17H20FNO2/c1-3-19(4-2)17(20)12-15(16-6-5-11-21-16)13-7-9-14(18)10-8-13/h5-11,15H,3-4,12H2,1-2H3
InChIKeyVSNZANYKTHAKLA-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.81
Rot. Bonds6

About N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide

N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide (PubChem CID 2946691) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
PubChem CID2946691
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESCCN(CC)C(=O)CC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C17H20FNO2/c1-3-19(4-2)17(20)12-15(16-6-5-11-21-16)13-7-9-14(18)10-8-13/h5-11,15H,3-4,12H2,1-2H3
InChIKeyVSNZANYKTHAKLA-UHFFFAOYSA-N
XLogP3.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide (CID 2946691) is N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide is CCN(CC)C(=O)CC(c1ccc(F)cc1)c1ccco1.
What is the InChIKey of N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The InChIKey is VSNZANYKTHAKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-19(4-2)17(20)12-15(16-6-5-11-21-16)13-7-9-14(18)10-8-13/h5-11,15H,3-4,12H2,1-2H3.
What are the key properties of N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide has a molecular weight of 289.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 2946691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).