N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide

C27H28ClN3O3 — CID 17117908

IUPACN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C27H28ClN3O3/c1-2-20-7-13-23(14-8-20)34-19-26(32)29-24-5-3-4-6-25(24)30-15-17-31(18-16-30)27(33)21-9-11-22(28)12-10-21/h3-14H,2,15-19H2,1H3,(H,29,32)
InChIKeyJFIZNIMRWCYJJN-UHFFFAOYSA-N
MW477.99 g/mol
LogP4.88
Rot. Bonds7

About N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide (PubChem CID 17117908) has the molecular formula C27H28ClN3O3 and a molecular weight of 477.99 g/mol. Its IUPAC name is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide
PubChem CID17117908
Molecular FormulaC27H28ClN3O3
Molecular Weight477.99 g/mol
Exact Mass477.18
IUPAC NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C27H28ClN3O3/c1-2-20-7-13-23(14-8-20)34-19-26(32)29-24-5-3-4-6-25(24)30-15-17-31(18-16-30)27(33)21-9-11-22(28)12-10-21/h3-14H,2,15-19H2,1H3,(H,29,32)
InChIKeyJFIZNIMRWCYJJN-UHFFFAOYSA-N
XLogP4.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 17117895
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 2949164
2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen
CID 167599960
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
methyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 3163535
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 1307505
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide
CID 17388059
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 3758937
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide
CID 17092284

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide (CID 17117908) is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is JFIZNIMRWCYJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3/c1-2-20-7-13-23(14-8-20)34-19-26(32)29-24-5-3-4-6-25(24)30-15-17-31(18-16-30)27(33)21-9-11-22(28)12-10-21/h3-14H,2,15-19H2,1H3,(H,29,32).
What are the key properties of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide?
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 477.99 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 17117908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).