2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide

C21H24ClN3O3 — CID 2944012

IUPAC2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C21H24ClN3O3/c1-2-21(27)25-13-11-24(12-14-25)18-9-5-4-8-17(18)23-20(26)15-28-19-10-6-3-7-16(19)22/h3-10H,2,11-15H2,1H3,(H,23,26)
InChIKeyJDBXLIHDPSKHAL-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.42
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide

2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide (PubChem CID 2944012) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
PubChem CID2944012
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C21H24ClN3O3/c1-2-21(27)25-13-11-24(12-14-25)18-9-5-4-8-17(18)23-20(26)15-28-19-10-6-3-7-16(19)22/h3-10H,2,11-15H2,1H3,(H,23,26)
InChIKeyJDBXLIHDPSKHAL-UHFFFAOYSA-N
XLogP3.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide (CID 2944012) is 2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide is CCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is JDBXLIHDPSKHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-2-21(27)25-13-11-24(12-14-25)18-9-5-4-8-17(18)23-20(26)15-28-19-10-6-3-7-16(19)22/h3-10H,2,11-15H2,1H3,(H,23,26).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 401.89 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 2944012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).