2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

C19H22Cl3N3O2 — CID 119448747

IUPAC2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C19H21Cl2N3O2.ClH/c20-14-4-1-2-6-16(14)26-17-7-3-5-15(21)18(17)19(25)23-10-13-24-11-8-22-9-12-24;/h1-7,22H,8-13H2,(H,23,25);1H
InChIKeyPAECQSQXTLWCLN-UHFFFAOYSA-N
MW430.76 g/mol
LogP3.84
Rot. Bonds6

About 2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119448747) has the molecular formula C19H22Cl3N3O2 and a molecular weight of 430.76 g/mol. Its IUPAC name is 2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119448747
Molecular FormulaC19H22Cl3N3O2
Molecular Weight430.76 g/mol
Exact Mass429.08
IUPAC Name2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C19H21Cl2N3O2.ClH/c20-14-4-1-2-6-16(14)26-17-7-3-5-15(21)18(17)19(25)23-10-13-24-11-8-22-9-12-24;/h1-7,22H,8-13H2,(H,23,25);1H
InChIKeyPAECQSQXTLWCLN-UHFFFAOYSA-N
XLogP3.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.76
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514188
2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120948185
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446515
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393611
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393698

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119448747) is 2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1c(Cl)cccc1Oc1ccccc1Cl.
What is the InChIKey of 2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is PAECQSQXTLWCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2.ClH/c20-14-4-1-2-6-16(14)26-17-7-3-5-15(21)18(17)19(25)23-10-13-24-11-8-22-9-12-24;/h1-7,22H,8-13H2,(H,23,25);1H.
What are the key properties of 2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 430.76 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119448747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).