2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

C20H24ClN3O — CID 24535268

IUPAC2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccccc2Cl)ccc1N1CCN(C)CC1
InChIInChI=1S/C20H24ClN3O/c1-15-13-17(7-8-19(15)24-11-9-23(2)10-12-24)22-20(25)14-16-5-3-4-6-18(16)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyMFVOAOHUEGVOBP-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.58
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 24535268) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID24535268
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccccc2Cl)ccc1N1CCN(C)CC1
InChIInChI=1S/C20H24ClN3O/c1-15-13-17(7-8-19(15)24-11-9-23(2)10-12-24)22-20(25)14-16-5-3-4-6-18(16)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyMFVOAOHUEGVOBP-UHFFFAOYSA-N
XLogP3.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382
2-(2,6-dichlorophenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 55451728
2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 38172833
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 39726957
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55457066
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154
[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 141195641
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928
N-(3-amino-4-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 24694774
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107799
3-acetamido-3-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55492554

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 24535268) is 2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1cc(NC(=O)Cc2ccccc2Cl)ccc1N1CCN(C)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is MFVOAOHUEGVOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-15-13-17(7-8-19(15)24-11-9-23(2)10-12-24)22-20(25)14-16-5-3-4-6-18(16)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 357.89 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 24535268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).