4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide

C20H23ClN4O2 — CID 8591306

IUPAC4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-14-2-5-16(21)12-18(14)25-10-8-24(9-11-25)13-19(26)23-17-6-3-15(4-7-17)20(22)27/h2-7,12H,8-11,13H2,1H3,(H2,22,27)(H,23,26)
InChIKeyHIXKWQKTGZEMAW-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.51
Rot. Bonds5

About 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide

4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 8591306) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID8591306
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-14-2-5-16(21)12-18(14)25-10-8-24(9-11-25)13-19(26)23-17-6-3-15(4-7-17)20(22)27/h2-7,12H,8-11,13H2,1H3,(H2,22,27)(H,23,26)
InChIKeyHIXKWQKTGZEMAW-UHFFFAOYSA-N
XLogP2.51
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8726217
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-(4-morpholin-4-ylphenyl)acetamide
CID 8591268
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-(5-chloro-2-pyridinyl)acetamide
CID 6467861
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-(3-nitrophenyl)acetamide
CID 8591338
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-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 22199310
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8591190
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 8591261

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide (CID 8591306) is 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide is Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is HIXKWQKTGZEMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-14-2-5-16(21)12-18(14)25-10-8-24(9-11-25)13-19(26)23-17-6-3-15(4-7-17)20(22)27/h2-7,12H,8-11,13H2,1H3,(H2,22,27)(H,23,26).
What are the key properties of 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 386.88 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 8591306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).