N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide

C14H14BrNO3 — CID 44578159

IUPACN-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC1=C(Br)COC1=O
InChIInChI=1S/C14H14BrNO3/c15-11-9-19-14(18)13(11)16-12(17)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,16,17)
InChIKeyLCFVMZUTQBLISH-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.29
Rot. Bonds5

About N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide

N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide (PubChem CID 44578159) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide
PubChem CID44578159
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC NameN-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC1=C(Br)COC1=O
InChIInChI=1S/C14H14BrNO3/c15-11-9-19-14(18)13(11)16-12(17)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,16,17)
InChIKeyLCFVMZUTQBLISH-UHFFFAOYSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide?
The IUPAC name of N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide (CID 44578159) is N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide?
The canonical SMILES for N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide is O=C(CCCc1ccccc1)NC1=C(Br)COC1=O.
What is the InChIKey of N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide?
The InChIKey is LCFVMZUTQBLISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c15-11-9-19-14(18)13(11)16-12(17)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,16,17).
What are the key properties of N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide?
N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide has a molecular weight of 324.17 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-oxo-2H-furan-4-yl)-4-phenylbutanamide is sourced from PubChem (CID 44578159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).