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

C19H22ClN3O — CID 2228389

IUPAC2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-22-10-12-23(13-11-22)18-8-6-17(7-9-18)21-19(24)14-15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyOKMGOOGYJCOXLR-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.27
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 2228389) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID2228389
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-22-10-12-23(13-11-22)18-8-6-17(7-9-18)21-19(24)14-15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyOKMGOOGYJCOXLR-UHFFFAOYSA-N
XLogP3.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.27
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

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
CID 17118263
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]benzamide
CID 110601103
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 19099535
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857693

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 2228389) is 2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is OKMGOOGYJCOXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-22-10-12-23(13-11-22)18-8-6-17(7-9-18)21-19(24)14-15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 343.86 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 2228389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).