2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide

C21H26ClN3O2 — CID 119393698

IUPAC2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H26ClN3O2/c22-19-8-3-1-6-17(19)16-27-20-9-4-2-7-18(20)21(26)24-10-5-13-25-14-11-23-12-15-25/h1-4,6-9,23H,5,10-16H2,(H,24,26)
InChIKeyACRZQLANXFDZAO-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.94
Rot. Bonds8

About 2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide

2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119393698) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119393698
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H26ClN3O2/c22-19-8-3-1-6-17(19)16-27-20-9-4-2-7-18(20)21(26)24-10-5-13-25-14-11-23-12-15-25/h1-4,6-9,23H,5,10-16H2,(H,24,26)
InChIKeyACRZQLANXFDZAO-UHFFFAOYSA-N
XLogP2.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660052
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
2-[(2-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428088
2-chloro-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide
CID 119392237
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
CID 119446636
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393611
1-[(2-chlorophenyl)methyl]-N-(3-piperazin-1-ylpropyl)pyrazole-4-carboxamide;hydrochloride
CID 119393831
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide (CID 119393698) is 2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide is O=C(NCCCN1CCNCC1)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is ACRZQLANXFDZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c22-19-8-3-1-6-17(19)16-27-20-9-4-2-7-18(20)21(26)24-10-5-13-25-14-11-23-12-15-25/h1-4,6-9,23H,5,10-16H2,(H,24,26).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide?
2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 387.91 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119393698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).