N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide

C20H24ClN3O — CID 6466542

IUPACN-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1N1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClN3O/c1-16-4-2-3-5-19(16)24-12-10-23(11-13-24)15-20(25)22-14-17-6-8-18(21)9-7-17/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyKXAHTQMXHQVDBK-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.09
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 6466542) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
PubChem CID6466542
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1N1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClN3O/c1-16-4-2-3-5-19(16)24-12-10-23(11-13-24)15-20(25)22-14-17-6-8-18(21)9-7-17/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyKXAHTQMXHQVDBK-UHFFFAOYSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide (CID 6466542) is N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide is Cc1ccccc1N1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is KXAHTQMXHQVDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-16-4-2-3-5-19(16)24-12-10-23(11-13-24)15-20(25)22-14-17-6-8-18(21)9-7-17/h2-9H,10-15H2,1H3,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 357.89 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6466542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).