4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

C18H29Cl2N3O3 — CID 119448351

IUPAC4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCCCCOc1c(Cl)cc(C(=O)NCCN2CCNCC2)cc1OC.Cl
InChIInChI=1S/C18H28ClN3O3.ClH/c1-3-4-11-25-17-15(19)12-14(13-16(17)24-2)18(23)21-7-10-22-8-5-20-6-9-22;/h12-13,20H,3-11H2,1-2H3,(H,21,23);1H
InChIKeyLFZQJKBQPRDXDY-UHFFFAOYSA-N
MW406.35 g/mol
LogP2.58
Rot. Bonds9

About 4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119448351) has the molecular formula C18H29Cl2N3O3 and a molecular weight of 406.35 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119448351
Molecular FormulaC18H29Cl2N3O3
Molecular Weight406.35 g/mol
Exact Mass405.16
IUPAC Name4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCCCCOc1c(Cl)cc(C(=O)NCCN2CCNCC2)cc1OC.Cl
InChIInChI=1S/C18H28ClN3O3.ClH/c1-3-4-11-25-17-15(19)12-14(13-16(17)24-2)18(23)21-7-10-22-8-5-20-6-9-22;/h12-13,20H,3-11H2,1-2H3,(H,21,23);1H
InChIKeyLFZQJKBQPRDXDY-UHFFFAOYSA-N
XLogP2.58
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119445563
3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391318
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide
CID 43067046
3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
CID 119558430
3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 46532855

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119448351) is 4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is CCCCOc1c(Cl)cc(C(=O)NCCN2CCNCC2)cc1OC.Cl.
What is the InChIKey of 4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is LFZQJKBQPRDXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O3.ClH/c1-3-4-11-25-17-15(19)12-14(13-16(17)24-2)18(23)21-7-10-22-8-5-20-6-9-22;/h12-13,20H,3-11H2,1-2H3,(H,21,23);1H.
What are the key properties of 4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 406.35 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119448351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).