N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

C18H20BrClFN3O — CID 120756344

IUPACN-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1ccccc1Br
InChIInChI=1S/C18H19BrFN3O.ClH/c19-15-6-1-2-7-16(15)22-18(24)12-23-9-8-21-11-17(23)13-4-3-5-14(20)10-13;/h1-7,10,17,21H,8-9,11-12H2,(H,22,24);1H
InChIKeyOMTQJKGFGSYHTI-UHFFFAOYSA-N
MW428.73 g/mol
LogP3.60
Rot. Bonds4

About N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120756344) has the molecular formula C18H20BrClFN3O and a molecular weight of 428.73 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120756344
Molecular FormulaC18H20BrClFN3O
Molecular Weight428.73 g/mol
Exact Mass427.05
IUPAC NameN-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1ccccc1Br
InChIInChI=1S/C18H19BrFN3O.ClH/c19-15-6-1-2-7-16(15)22-18(24)12-23-9-8-21-11-17(23)13-4-3-5-14(20)10-13;/h1-7,10,17,21H,8-9,11-12H2,(H,22,24);1H
InChIKeyOMTQJKGFGSYHTI-UHFFFAOYSA-N
XLogP3.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.73
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride 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-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754684
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 120757093
N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757048
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 120756569
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 120771117
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
N-[(2,3-dimethylphenyl)carbamoyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756139

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120756344) is N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is Cl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is OMTQJKGFGSYHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O.ClH/c19-15-6-1-2-7-16(15)22-18(24)12-23-9-8-21-11-17(23)13-4-3-5-14(20)10-13;/h1-7,10,17,21H,8-9,11-12H2,(H,22,24);1H.
What are the key properties of N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 428.73 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120756344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).