3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide

C13H17BrClN3O — CID 107990091

IUPAC3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H17BrClN3O/c14-11-9-10(1-2-12(11)15)13(19)17-5-8-18-6-3-16-4-7-18/h1-2,9,16H,3-8H2,(H,17,19)
InChIKeyFTMWATOXFCWHTG-UHFFFAOYSA-N
MW346.66 g/mol
LogP1.74
Rot. Bonds4

About 3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide

3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 107990091) has the molecular formula C13H17BrClN3O and a molecular weight of 346.66 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID107990091
Molecular FormulaC13H17BrClN3O
Molecular Weight346.66 g/mol
Exact Mass345.02
IUPAC Name3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H17BrClN3O/c14-11-9-10(1-2-12(11)15)13(19)17-5-8-18-6-3-16-4-7-18/h1-2,9,16H,3-8H2,(H,17,19)
InChIKeyFTMWATOXFCWHTG-UHFFFAOYSA-N
XLogP1.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.66
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-chloro-3-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119449000
3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448751
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 107990145
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide
CID 119446532
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119447731
N-(2-piperazin-1-ylethyl)-1H-indole-5-carboxamide
CID 63747724
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 106606518

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide (CID 107990091) is 3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide is O=C(NCCN1CCNCC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is FTMWATOXFCWHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN3O/c14-11-9-10(1-2-12(11)15)13(19)17-5-8-18-6-3-16-4-7-18/h1-2,9,16H,3-8H2,(H,17,19).
What are the key properties of 3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide?
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 346.66 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 107990091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).