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

C22H25Cl2N3O2 — CID 17091526

IUPACN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide
SMILESCCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25Cl2N3O2/c1-2-3-22(29)27-12-10-26(11-13-27)20-9-8-18(24)15-19(20)25-21(28)14-16-4-6-17(23)7-5-16/h4-9,15H,2-3,10-14H2,1H3,(H,25,28)
InChIKeyKKSGLEBPMYNZHQ-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.62
Rot. Bonds6

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

N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide (PubChem CID 17091526) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide
PubChem CID17091526
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC NameN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide
SMILESCCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25Cl2N3O2/c1-2-3-22(29)27-12-10-26(11-13-27)20-9-8-18(24)15-19(20)25-21(28)14-16-4-6-17(23)7-5-16/h4-9,15H,2-3,10-14H2,1H3,(H,25,28)
InChIKeyKKSGLEBPMYNZHQ-UHFFFAOYSA-N
XLogP4.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide
CID 17092284
N-[[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]propanamide
CID 17091961
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17092281
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17091564
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 17092277
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide
CID 17092273
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
CID 17091566
N-[[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 17091965
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17092278
(E)-N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 17091553
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 7491964
N-[[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]-3-chlorobenzamide
CID 17091928

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide (CID 17091526) is N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide is CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is KKSGLEBPMYNZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-2-3-22(29)27-12-10-26(11-13-27)20-9-8-18(24)15-19(20)25-21(28)14-16-4-6-17(23)7-5-16/h4-9,15H,2-3,10-14H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide?
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 434.37 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 17091526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).