N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

C19H22BrClFN3O — CID 171668945

IUPACN-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Br.Cl
InChIInChI=1S/C19H21BrFN3O.ClH/c1-14-2-5-16(12-18(14)20)22-19(25)13-23-8-10-24(11-9-23)17-6-3-15(21)4-7-17;/h2-7,12H,8-11,13H2,1H3,(H,22,25);1H
InChIKeySEPKOQPOZANFCA-UHFFFAOYSA-N
MW442.76 g/mol
LogP4.08
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 171668945) has the molecular formula C19H22BrClFN3O and a molecular weight of 442.76 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID171668945
Molecular FormulaC19H22BrClFN3O
Molecular Weight442.76 g/mol
Exact Mass441.06
IUPAC NameN-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Br.Cl
InChIInChI=1S/C19H21BrFN3O.ClH/c1-14-2-5-16(12-18(14)20)22-19(25)13-23-8-10-24(11-9-23)17-6-3-15(21)4-7-17;/h2-7,12H,8-11,13H2,1H3,(H,22,25);1H
InChIKeySEPKOQPOZANFCA-UHFFFAOYSA-N
XLogP4.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
N-(4-bromo-3-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690820
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 981650
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027329
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 17132212
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
N-(3-chloro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690802
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (CID 171668945) is N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is Cc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Br.Cl.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is SEPKOQPOZANFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O.ClH/c1-14-2-5-16(12-18(14)20)22-19(25)13-23-8-10-24(11-9-23)17-6-3-15(21)4-7-17;/h2-7,12H,8-11,13H2,1H3,(H,22,25);1H.
What are the key properties of N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 442.76 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 171668945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).