N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide

C20H24BrN3O — CID 14762566

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccccc1Br
InChIInChI=1S/C20H24BrN3O/c21-19-9-5-4-8-18(19)20(25)22-10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)
InChIKeyFUMYQFRAXDQWFR-UHFFFAOYSA-N
MW402.34 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide (PubChem CID 14762566) has the molecular formula C20H24BrN3O and a molecular weight of 402.34 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
PubChem CID14762566
Molecular FormulaC20H24BrN3O
Molecular Weight402.34 g/mol
Exact Mass401.11
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccccc1Br
InChIInChI=1S/C20H24BrN3O/c21-19-9-5-4-8-18(19)20(25)22-10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)
InChIKeyFUMYQFRAXDQWFR-UHFFFAOYSA-N
XLogP3.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 4197807
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-bromo-2-fluorobenzamide
CID 39301758
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 39985361
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39984765
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-nitrobenzamide
CID 55634194
2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716239
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
CID 39302279
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide (CID 14762566) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide is O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccccc1Br.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide?
The InChIKey is FUMYQFRAXDQWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O/c21-19-9-5-4-8-18(19)20(25)22-10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide has a molecular weight of 402.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide is sourced from PubChem (CID 14762566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).