N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

C20H24ClN3O — CID 34732047

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCc3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H24ClN3O/c1-16-5-4-7-18(13-16)24-11-9-23(10-12-24)15-20(25)22-14-17-6-2-3-8-19(17)21/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyIQHDCSLULNPKAD-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.09
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 34732047) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
PubChem CID34732047
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCc3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H24ClN3O/c1-16-5-4-7-18(13-16)24-11-9-23(10-12-24)15-20(25)22-14-17-6-2-3-8-19(17)21/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyIQHDCSLULNPKAD-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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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 171336093
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 39894799
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34733225
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 91831816
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
CID 91839293
N-[(2-methoxyphenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592411
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 36847416
N-(2-tert-butylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34736252

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (CID 34732047) is N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is Cc1cccc(N2CCN(CC(=O)NCc3ccccc3Cl)CC2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is IQHDCSLULNPKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-16-5-4-7-18(13-16)24-11-9-23(10-12-24)15-20(25)22-14-17-6-2-3-8-19(17)21/h2-8,13H,9-12,14-15H2,1H3,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[4-(3-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-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 34732047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).