2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride

C19H23Cl3N4O2 — CID 119833686

IUPAC2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H21ClN4O2.2ClH/c20-16-6-1-2-7-17(16)22-18(25)13-23-8-10-24(11-9-23)19(26)14-4-3-5-15(21)12-14;;/h1-7,12H,8-11,13,21H2,(H,22,25);2*1H
InChIKeyKZVAHYQRCGOOJF-UHFFFAOYSA-N
MW445.78 g/mol
LogP3.16
Rot. Bonds4

About 2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride

2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride (PubChem CID 119833686) has the molecular formula C19H23Cl3N4O2 and a molecular weight of 445.78 g/mol. Its IUPAC name is 2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
PubChem CID119833686
Molecular FormulaC19H23Cl3N4O2
Molecular Weight445.78 g/mol
Exact Mass444.09
IUPAC Name2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H21ClN4O2.2ClH/c20-16-6-1-2-7-17(16)22-18(25)13-23-8-10-24(11-9-23)19(26)14-4-3-5-15(21)12-14;;/h1-7,12H,8-11,13,21H2,(H,22,25);2*1H
InChIKeyKZVAHYQRCGOOJF-UHFFFAOYSA-N
XLogP3.16
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.78
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9020752
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
N-(2-chlorophenyl)-2-[4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 31333305
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 166364808
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 31333414
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride
CID 119754548
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
2-[4-(4-anilino-3-nitrobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 46664005
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833652

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The IUPAC name of 2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride (CID 119833686) is 2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride is Cl.Cl.Nc1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1.
What is the InChIKey of 2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The InChIKey is KZVAHYQRCGOOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2.2ClH/c20-16-6-1-2-7-17(16)22-18(25)13-23-8-10-24(11-9-23)19(26)14-4-3-5-15(21)12-14;;/h1-7,12H,8-11,13,21H2,(H,22,25);2*1H.
What are the key properties of 2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride has a molecular weight of 445.78 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride is sourced from PubChem (CID 119833686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).