N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide

C20H22ClN3O2 — CID 1214066

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-23-9-11-24(12-10-23)14-19(25)22-18-8-7-16(21)13-17(18)20(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKeyITBJZJBYADUQJQ-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.76
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 1214066) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID1214066
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-23-9-11-24(12-10-23)14-19(25)22-18-8-7-16(21)13-17(18)20(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKeyITBJZJBYADUQJQ-UHFFFAOYSA-N
XLogP2.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 1214066) is N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is ITBJZJBYADUQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-23-9-11-24(12-10-23)14-19(25)22-18-8-7-16(21)13-17(18)20(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,25).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 371.87 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 1214066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).