N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide

C18H18FNO2 — CID 24980236

IUPACN-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide
SMILESCC(NC(=O)CCC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2/c1-13(14-7-9-16(19)10-8-14)20-18(22)12-11-17(21)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyLOIOVUAUVRQKJL-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.67
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide

N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide (PubChem CID 24980236) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide
PubChem CID24980236
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide
SMILESCC(NC(=O)CCC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2/c1-13(14-7-9-16(19)10-8-14)20-18(22)12-11-17(21)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyLOIOVUAUVRQKJL-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide (CID 24980236) is N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide is CC(NC(=O)CCC(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide?
The InChIKey is LOIOVUAUVRQKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13(14-7-9-16(19)10-8-14)20-18(22)12-11-17(21)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide?
N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide has a molecular weight of 299.34 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 24980236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).