3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

C13H18Cl2IN3O — CID 119448751

IUPAC3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H17ClIN3O.ClH/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);1H
InChIKeyLZELCGNIAWDLRT-UHFFFAOYSA-N
MW430.12 g/mol
LogP2.00
Rot. Bonds4

About 3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119448751) has the molecular formula C13H18Cl2IN3O and a molecular weight of 430.12 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119448751
Molecular FormulaC13H18Cl2IN3O
Molecular Weight430.12 g/mol
Exact Mass428.99
IUPAC Name3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H17ClIN3O.ClH/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);1H
InChIKeyLZELCGNIAWDLRT-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.12
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119449000
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
CID 107990091
3-chloro-4-iodo-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805894
N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119447731
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
3-chloro-4-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103737073
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
N-(2-piperazin-1-ylethyl)-1H-indole-5-carboxamide
CID 63747724

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119448751) is 3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is LZELCGNIAWDLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClIN3O.ClH/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);1H.
What are the key properties of 3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 430.12 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119448751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).