N-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide

C19H21BrClN3O — CID 1288292

IUPACN-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1c(Cl)cccc1N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrClN3O/c1-14-17(21)3-2-4-18(14)24-11-9-23(10-12-24)13-19(25)22-16-7-5-15(20)6-8-16/h2-8H,9-13H2,1H3,(H,22,25)
InChIKeyYEEKJFRTLQHATJ-UHFFFAOYSA-N
MW422.75 g/mol
LogP4.17
Rot. Bonds4

About N-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide

N-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 1288292) has the molecular formula C19H21BrClN3O and a molecular weight of 422.75 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide
PubChem CID1288292
Molecular FormulaC19H21BrClN3O
Molecular Weight422.75 g/mol
Exact Mass421.06
IUPAC NameN-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1c(Cl)cccc1N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrClN3O/c1-14-17(21)3-2-4-18(14)24-11-9-23(10-12-24)13-19(25)22-16-7-5-15(20)6-8-16/h2-8H,9-13H2,1H3,(H,22,25)
InChIKeyYEEKJFRTLQHATJ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide (CID 1288292) is N-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide is Cc1c(Cl)cccc1N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is YEEKJFRTLQHATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O/c1-14-17(21)3-2-4-18(14)24-11-9-23(10-12-24)13-19(25)22-16-7-5-15(20)6-8-16/h2-8H,9-13H2,1H3,(H,22,25).
What are the key properties of N-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(3-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-(4-bromophenyl)-2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 1288292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).