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

C20H21Cl2N3O3 — CID 17498493

IUPAC2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H21Cl2N3O3/c21-15-5-7-16(8-6-15)28-14-20(27)25-11-9-24(10-12-25)13-19(26)23-18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26)
InChIKeyIYWFTPAQPHPRBN-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.16
Rot. Bonds6

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

2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 17498493) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID17498493
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC Name2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H21Cl2N3O3/c21-15-5-7-16(8-6-15)28-14-20(27)25-11-9-24(10-12-25)13-19(26)23-18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26)
InChIKeyIYWFTPAQPHPRBN-UHFFFAOYSA-N
XLogP3.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020660
N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide
CID 37214098
2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55364439
2-(4-chlorophenoxy)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19293287
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833651
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 78899895
N-(2,3-dichlorophenyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 87017466
N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 27860722

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 17498493) is 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is O=C(CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is IYWFTPAQPHPRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c21-15-5-7-16(8-6-15)28-14-20(27)25-11-9-24(10-12-25)13-19(26)23-18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26).
What are the key properties of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 422.31 g/mol, XLogP of 3.16, 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)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 17498493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).