N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide

C22H25Cl2N3O3 — CID 17092284

IUPACN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide
SMILESCCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25Cl2N3O3/c1-2-3-22(29)27-12-10-26(11-13-27)20-9-6-17(24)14-19(20)25-21(28)15-30-18-7-4-16(23)5-8-18/h4-9,14H,2-3,10-13,15H2,1H3,(H,25,28)
InChIKeyUMHWQUOXDKAPDV-UHFFFAOYSA-N
MW450.37 g/mol
LogP4.46
Rot. Bonds7

About N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide

N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 17092284) has the molecular formula C22H25Cl2N3O3 and a molecular weight of 450.37 g/mol. Its IUPAC name is N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide
PubChem CID17092284
Molecular FormulaC22H25Cl2N3O3
Molecular Weight450.37 g/mol
Exact Mass449.13
IUPAC NameN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide
SMILESCCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25Cl2N3O3/c1-2-3-22(29)27-12-10-26(11-13-27)20-9-6-17(24)14-19(20)25-21(28)15-30-18-7-4-16(23)5-8-18/h4-9,14H,2-3,10-13,15H2,1H3,(H,25,28)
InChIKeyUMHWQUOXDKAPDV-UHFFFAOYSA-N
XLogP4.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17092281
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide
CID 17092273
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide
CID 17091526
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17092278
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 17092277
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
CID 55359272
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17319255
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7551811
N-[[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]propanamide
CID 17091961
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 17111731

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide (CID 17092284) is N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide is CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is UMHWQUOXDKAPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O3/c1-2-3-22(29)27-12-10-26(11-13-27)20-9-6-17(24)14-19(20)25-21(28)15-30-18-7-4-16(23)5-8-18/h4-9,14H,2-3,10-13,15H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide?
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 450.37 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 17092284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).