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

C18H20BrClN3O+ — CID 6958467

IUPACN-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H19BrClN3O/c19-14-4-6-16(7-5-14)21-18(24)13-22-8-10-23(11-9-22)17-3-1-2-15(20)12-17/h1-7,12H,8-11,13H2,(H,21,24)/p+1
InChIKeySAEMEJXJPBESQO-UHFFFAOYSA-O
MW409.74 g/mol
LogP2.45
Rot. Bonds4

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

N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 6958467) has the molecular formula C18H20BrClN3O+ and a molecular weight of 409.74 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID6958467
Molecular FormulaC18H20BrClN3O+
Molecular Weight409.74 g/mol
Exact Mass408.05
IUPAC NameN-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H19BrClN3O/c19-14-4-6-16(7-5-14)21-18(24)13-22-8-10-23(11-9-22)17-3-1-2-15(20)12-17/h1-7,12H,8-11,13H2,(H,21,24)/p+1
InChIKeySAEMEJXJPBESQO-UHFFFAOYSA-O
XLogP2.45
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.74
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]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

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-bromophenyl)-2-[4-(4-ethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 3494423
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 2698419
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2124469
(1S)-1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanol
CID 7036655
N-(3-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2161088
N-(3-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542873
N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8530398
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8592436
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2653629

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide (CID 6958467) is N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is SAEMEJXJPBESQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19BrClN3O/c19-14-4-6-16(7-5-14)21-18(24)13-22-8-10-23(11-9-22)17-3-1-2-15(20)12-17/h1-7,12H,8-11,13H2,(H,21,24)/p+1.
What are the key properties of N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 409.74 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 6958467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).