4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide

C18H18BrN3O4 — CID 6459908

IUPAC4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O4/c19-14-5-3-13(4-6-14)17(24)20-12-16(23)21-7-9-22(10-8-21)18(25)15-2-1-11-26-15/h1-6,11H,7-10,12H2,(H,20,24)
InChIKeyBMQLZGBOINAGFF-UHFFFAOYSA-N
MW420.26 g/mol
LogP1.76
Rot. Bonds4

About 4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide

4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 6459908) has the molecular formula C18H18BrN3O4 and a molecular weight of 420.26 g/mol. Its IUPAC name is 4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID6459908
Molecular FormulaC18H18BrN3O4
Molecular Weight420.26 g/mol
Exact Mass419.05
IUPAC Name4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O4/c19-14-5-3-13(4-6-14)17(24)20-12-16(23)21-7-9-22(10-8-21)18(25)15-2-1-11-26-15/h1-6,11H,7-10,12H2,(H,20,24)
InChIKeyBMQLZGBOINAGFF-UHFFFAOYSA-N
XLogP1.76
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 6459908) is 4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is BMQLZGBOINAGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O4/c19-14-5-3-13(4-6-14)17(24)20-12-16(23)21-7-9-22(10-8-21)18(25)15-2-1-11-26-15/h1-6,11H,7-10,12H2,(H,20,24).
What are the key properties of 4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide?
4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 420.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 6459908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).