N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide

C17H15F2NO2 — CID 44561094

IUPACN-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO2/c1-11(21)20-16(12-2-6-14(18)7-3-12)10-17(22)13-4-8-15(19)9-5-13/h2-9,16H,10H2,1H3,(H,20,21)
InChIKeyHLBNKZQUWFKBGQ-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.41
Rot. Bonds5

About N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide

N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide (PubChem CID 44561094) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide
PubChem CID44561094
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC NameN-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO2/c1-11(21)20-16(12-2-6-14(18)7-3-12)10-17(22)13-4-8-15(19)9-5-13/h2-9,16H,10H2,1H3,(H,20,21)
InChIKeyHLBNKZQUWFKBGQ-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide (CID 44561094) is N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide?
The InChIKey is HLBNKZQUWFKBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-11(21)20-16(12-2-6-14(18)7-3-12)10-17(22)13-4-8-15(19)9-5-13/h2-9,16H,10H2,1H3,(H,20,21).
What are the key properties of N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide?
N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide has a molecular weight of 303.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 44561094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).