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

C19H21BrClN3O — CID 171336093

IUPAC2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(c2ccc(Br)cc2)CC1)NCc1ccccc1Cl
InChIInChI=1S/C19H21BrClN3O/c20-16-5-7-17(8-6-16)24-11-9-23(10-12-24)14-19(25)22-13-15-3-1-2-4-18(15)21/h1-8H,9-14H2,(H,22,25)
InChIKeyDLXABEUEXHTIHO-UHFFFAOYSA-N
MW422.75 g/mol
LogP3.54
Rot. Bonds5

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

2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 171336093) has the molecular formula C19H21BrClN3O and a molecular weight of 422.75 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID171336093
Molecular FormulaC19H21BrClN3O
Molecular Weight422.75 g/mol
Exact Mass421.06
IUPAC Name2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(c2ccc(Br)cc2)CC1)NCc1ccccc1Cl
InChIInChI=1S/C19H21BrClN3O/c20-16-5-7-17(8-6-16)24-11-9-23(10-12-24)14-19(25)22-13-15-3-1-2-4-18(15)21/h1-8H,9-14H2,(H,22,25)
InChIKeyDLXABEUEXHTIHO-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34732047
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110648111
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 2455653
N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
4-bromo-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 17318072
N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109021431
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655772
N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561773
2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 112992648
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 62062007

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide (CID 171336093) is 2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide is O=C(CN1CCN(c2ccc(Br)cc2)CC1)NCc1ccccc1Cl.
What is the InChIKey of 2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is DLXABEUEXHTIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O/c20-16-5-7-17(8-6-16)24-11-9-23(10-12-24)14-19(25)22-13-15-3-1-2-4-18(15)21/h1-8H,9-14H2,(H,22,25).
What are the key properties of 2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 422.75 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 171336093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).