2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide

C14H17BrFN3O2 — CID 4787615

IUPAC2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H17BrFN3O2/c1-10(20)19-6-4-18(5-7-19)9-14(21)17-13-3-2-11(15)8-12(13)16/h2-3,8H,4-7,9H2,1H3,(H,17,21)
InChIKeyXKAKXCLQWUBCFI-UHFFFAOYSA-N
MW358.21 g/mol
LogP1.69
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide (PubChem CID 4787615) has the molecular formula C14H17BrFN3O2 and a molecular weight of 358.21 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
PubChem CID4787615
Molecular FormulaC14H17BrFN3O2
Molecular Weight358.21 g/mol
Exact Mass357.05
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H17BrFN3O2/c1-10(20)19-6-4-18(5-7-19)9-14(21)17-13-3-2-11(15)8-12(13)16/h2-3,8H,4-7,9H2,1H3,(H,17,21)
InChIKeyXKAKXCLQWUBCFI-UHFFFAOYSA-N
XLogP1.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide (CID 4787615) is 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide?
The InChIKey is XKAKXCLQWUBCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3O2/c1-10(20)19-6-4-18(5-7-19)9-14(21)17-13-3-2-11(15)8-12(13)16/h2-3,8H,4-7,9H2,1H3,(H,17,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide has a molecular weight of 358.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 4787615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).