N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide

C14H19Cl2N3O — CID 8896722

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18-4-6-19(7-5-18)10-14(20)17-9-11-2-3-12(15)8-13(11)16/h2-3,8H,4-7,9-10H2,1H3,(H,17,20)
InChIKeyMPENLRBXDDTNDF-UHFFFAOYSA-N
MW316.23 g/mol
LogP1.86
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 8896722) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID8896722
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18-4-6-19(7-5-18)10-14(20)17-9-11-2-3-12(15)8-13(11)16/h2-3,8H,4-7,9-10H2,1H3,(H,17,20)
InChIKeyMPENLRBXDDTNDF-UHFFFAOYSA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-[4-[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]acetamide
CID 25262379
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 60701467
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118788473
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 26217336
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 37446914
3-chloro-N-[(5-chloro-2-ethylsulfanylphenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 134548740
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

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 8896722) is N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is MPENLRBXDDTNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-18-4-6-19(7-5-18)10-14(20)17-9-11-2-3-12(15)8-13(11)16/h2-3,8H,4-7,9-10H2,1H3,(H,17,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 316.23 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8896722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).