2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C21H24ClN3O3 — CID 6461820

IUPAC2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)CNC(=O)Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-28-19-8-6-18(7-9-19)24-10-12-25(13-11-24)21(27)15-23-20(26)14-16-2-4-17(22)5-3-16/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyYFWYOIWKHPCCMF-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 6461820) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID6461820
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)CNC(=O)Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-28-19-8-6-18(7-9-19)24-10-12-25(13-11-24)21(27)15-23-20(26)14-16-2-4-17(22)5-3-16/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyYFWYOIWKHPCCMF-UHFFFAOYSA-N
XLogP2.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 6461820) is 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is COc1ccc(N2CCN(C(=O)CNC(=O)Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is YFWYOIWKHPCCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-28-19-8-6-18(7-9-19)24-10-12-25(13-11-24)21(27)15-23-20(26)14-16-2-4-17(22)5-3-16/h2-9H,10-15H2,1H3,(H,23,26).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 401.89 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 6461820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).