2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide

C25H26ClN3O — CID 4120374

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H26ClN3O/c1-20-12-13-21(26)18-24(20)28-16-14-27(15-17-28)19-25(30)29(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,18H,14-17,19H2,1H3
InChIKeyRMZOPPJWJONNRP-UHFFFAOYSA-N
MW419.96 g/mol
LogP5.14
Rot. Bonds5

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide (PubChem CID 4120374) has the molecular formula C25H26ClN3O and a molecular weight of 419.96 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide
PubChem CID4120374
Molecular FormulaC25H26ClN3O
Molecular Weight419.96 g/mol
Exact Mass419.18
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H26ClN3O/c1-20-12-13-21(26)18-24(20)28-16-14-27(15-17-28)19-25(30)29(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,18H,14-17,19H2,1H3
InChIKeyRMZOPPJWJONNRP-UHFFFAOYSA-N
XLogP5.14
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.96
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78894567
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8591270
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide
CID 143117973
N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
CID 1091721
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22199290
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22199281
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6467861
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 25355362
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17493759

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide (CID 4120374) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide is Cc1ccc(Cl)cc1N1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide?
The InChIKey is RMZOPPJWJONNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O/c1-20-12-13-21(26)18-24(20)28-16-14-27(15-17-28)19-25(30)29(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,18H,14-17,19H2,1H3.
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide has a molecular weight of 419.96 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide is sourced from PubChem (CID 4120374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).