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

C20H24Cl2N3O+ — CID 8530398

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H23Cl2N3O/c21-17-6-4-16(5-7-17)8-9-23-20(26)15-24-10-12-25(13-11-24)19-3-1-2-18(22)14-19/h1-7,14H,8-13,15H2,(H,23,26)/p+1
InChIKeyPLUYHLAVJNQMAM-UHFFFAOYSA-O
MW393.34 g/mol
LogP2.06
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 8530398) has the molecular formula C20H24Cl2N3O+ and a molecular weight of 393.34 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID8530398
Molecular FormulaC20H24Cl2N3O+
Molecular Weight393.34 g/mol
Exact Mass392.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H23Cl2N3O/c21-17-6-4-16(5-7-17)8-9-23-20(26)15-24-10-12-25(13-11-24)19-3-1-2-18(22)14-19/h1-7,14H,8-13,15H2,(H,23,26)/p+1
InChIKeyPLUYHLAVJNQMAM-UHFFFAOYSA-O
XLogP2.06
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8529813
N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958467
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
CID 8591746
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8529954
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 8591784
N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587776
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7830382
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-2-oxoacetamide
CID 108503184
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6958022
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8529693
N-[(4-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2654793

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide (CID 8530398) is N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is PLUYHLAVJNQMAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23Cl2N3O/c21-17-6-4-16(5-7-17)8-9-23-20(26)15-24-10-12-25(13-11-24)19-3-1-2-18(22)14-19/h1-7,14H,8-13,15H2,(H,23,26)/p+1.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 393.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8530398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).