2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C21H23Cl2N3O3 — CID 55364439

IUPAC2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H23Cl2N3O3/c1-15(29-17-8-6-16(22)7-9-17)21(28)26-12-10-25(11-13-26)14-20(27)24-19-5-3-2-4-18(19)23/h2-9,15H,10-14H2,1H3,(H,24,27)
InChIKeyNPOGMBRXLFDPFH-UHFFFAOYSA-N
MW436.34 g/mol
LogP3.54
Rot. Bonds6

About 2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 55364439) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID55364439
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC Name2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H23Cl2N3O3/c1-15(29-17-8-6-16(22)7-9-17)21(28)26-12-10-25(11-13-26)14-20(27)24-19-5-3-2-4-18(19)23/h2-9,15H,10-14H2,1H3,(H,24,27)
InChIKeyNPOGMBRXLFDPFH-UHFFFAOYSA-N
XLogP3.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-2-[4-[(2R)-2-(4-fluorophenoxy)propanoyl]piperazin-1-yl]acetamide
CID 9020784
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 17498493
N-(2,3-dimethylphenyl)-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 18116033
N-(2-chlorophenyl)-2-[4-[(2S)-2-(4-fluorophenoxy)propanoyl]piperazin-1-ium-1-yl]acetamide
CID 9020781
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55364482
N-(2,6-dimethylphenyl)-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 46407772
2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3692227
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-[(2S)-2-(benzenesulfonamido)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55943067
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833652
N-(2-chlorophenyl)-2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020660

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 55364439) is 2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is CC(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is NPOGMBRXLFDPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c1-15(29-17-8-6-16(22)7-9-17)21(28)26-12-10-25(11-13-26)14-20(27)24-19-5-3-2-4-18(19)23/h2-9,15H,10-14H2,1H3,(H,24,27).
What are the key properties of 2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 436.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 55364439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).