2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide

C23H30ClN3O2 — CID 55660052

IUPAC2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
SMILESCCN1CCN(CCCNC(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H30ClN3O2/c1-2-26-14-16-27(17-15-26)13-5-12-25-23(28)21-6-3-4-7-22(21)29-18-19-8-10-20(24)11-9-19/h3-4,6-11H,2,5,12-18H2,1H3,(H,25,28)
InChIKeyCSVZESVHNPNNGH-UHFFFAOYSA-N
MW415.97 g/mol
LogP3.68
Rot. Bonds9

About 2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide

2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide (PubChem CID 55660052) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
PubChem CID55660052
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
SMILESCCN1CCN(CCCNC(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H30ClN3O2/c1-2-26-14-16-27(17-15-26)13-5-12-25-23(28)21-6-3-4-7-22(21)29-18-19-8-10-20(24)11-9-19/h3-4,6-11H,2,5,12-18H2,1H3,(H,25,28)
InChIKeyCSVZESVHNPNNGH-UHFFFAOYSA-N
XLogP3.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide
CID 55997633
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224182
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393698
2-[(4-chlorophenyl)methoxy]-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533123
2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014545
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
ethyl 4-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 43010715

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide (CID 55660052) is 2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide is CCN1CCN(CCCNC(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The InChIKey is CSVZESVHNPNNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O2/c1-2-26-14-16-27(17-15-26)13-5-12-25-23(28)21-6-3-4-7-22(21)29-18-19-8-10-20(24)11-9-19/h3-4,6-11H,2,5,12-18H2,1H3,(H,25,28).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide has a molecular weight of 415.97 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 55660052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).