N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide

C19H21BrClN3O — CID 1091721

IUPACN-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C19H21BrClN3O/c1-14-6-7-15(21)12-18(14)24-10-8-23(9-11-24)13-19(25)22-17-5-3-2-4-16(17)20/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyKNKPFYZIUJFMPP-UHFFFAOYSA-N
MW422.75 g/mol
LogP4.17
Rot. Bonds4

About N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide

N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 1091721) has the molecular formula C19H21BrClN3O and a molecular weight of 422.75 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
PubChem CID1091721
Molecular FormulaC19H21BrClN3O
Molecular Weight422.75 g/mol
Exact Mass421.06
IUPAC NameN-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C19H21BrClN3O/c1-14-6-7-15(21)12-18(14)24-10-8-23(9-11-24)13-19(25)22-17-5-3-2-4-16(17)20/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyKNKPFYZIUJFMPP-UHFFFAOYSA-N
XLogP4.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.75
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22199290
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22199281
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6467861
N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8005862
4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8591306
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8591190
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8591268
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8591338
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17493759

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide (CID 1091721) is N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide is Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is KNKPFYZIUJFMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O/c1-14-6-7-15(21)12-18(14)24-10-8-23(9-11-24)13-19(25)22-17-5-3-2-4-16(17)20/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide?
N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 422.75 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 1091721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).