N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide

C20H22BrN3O3 — CID 2983410

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H22BrN3O3/c1-15(25)23-10-12-24(13-11-23)19-5-3-2-4-18(19)22-20(26)14-27-17-8-6-16(21)7-9-17/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyVXMKMNHTUUYIDE-UHFFFAOYSA-N
MW432.32 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide (PubChem CID 2983410) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide
PubChem CID2983410
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H22BrN3O3/c1-15(25)23-10-12-24(13-11-23)19-5-3-2-4-18(19)22-20(26)14-27-17-8-6-16(21)7-9-17/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyVXMKMNHTUUYIDE-UHFFFAOYSA-N
XLogP3.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide (CID 2983410) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide is CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide?
The InChIKey is VXMKMNHTUUYIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c1-15(25)23-10-12-24(13-11-23)19-5-3-2-4-18(19)22-20(26)14-27-17-8-6-16(21)7-9-17/h2-9H,10-14H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide has a molecular weight of 432.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 2983410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).