2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide

C20H22Cl2N3O2+ — CID 9256937

IUPAC2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2Cl)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2/c21-16-5-3-4-15(12-16)13-23-19(26)14-24-8-10-25(11-9-24)20(27)17-6-1-2-7-18(17)22/h1-7,12H,8-11,13-14H2,(H,23,26)/p+1
InChIKeyYGNDLWPRKUSOFY-UHFFFAOYSA-O
MW407.32 g/mol
LogP1.65
Rot. Bonds5

About 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide

2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 9256937) has the molecular formula C20H22Cl2N3O2+ and a molecular weight of 407.32 g/mol. Its IUPAC name is 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID9256937
Molecular FormulaC20H22Cl2N3O2+
Molecular Weight407.32 g/mol
Exact Mass406.11
IUPAC Name2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2Cl)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2/c21-16-5-3-4-15(12-16)13-23-19(26)14-24-8-10-25(11-9-24)20(27)17-6-1-2-7-18(17)22/h1-7,12H,8-11,13-14H2,(H,23,26)/p+1
InChIKeyYGNDLWPRKUSOFY-UHFFFAOYSA-O
XLogP1.65
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8742949
N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9020631
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 8591784
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 8528366
(3S)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9306029
N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide
CID 5061478
N-[(4-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2654793
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8528325
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
N-(2-chlorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9434222
N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8530398

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide (CID 9256937) is 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide is O=C(C[NH+]1CCN(C(=O)c2ccccc2Cl)CC1)NCc1cccc(Cl)c1.
What is the InChIKey of 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is YGNDLWPRKUSOFY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21Cl2N3O2/c21-16-5-3-4-15(12-16)13-23-19(26)14-24-8-10-25(11-9-24)20(27)17-6-1-2-7-18(17)22/h1-7,12H,8-11,13-14H2,(H,23,26)/p+1.
What are the key properties of 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide?
2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 407.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 9256937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).