2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

C20H23Cl2N3O — CID 42224466

IUPAC2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H23Cl2N3O/c21-16-7-8-19(22)18(15-16)20(26)23-9-4-10-24-11-13-25(14-12-24)17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14H2,(H,23,26)
InChIKeyULXMUCMIFLBLKX-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.94
Rot. Bonds6

About 2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 42224466) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID42224466
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H23Cl2N3O/c21-16-7-8-19(22)18(15-16)20(26)23-9-4-10-24-11-13-25(14-12-24)17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14H2,(H,23,26)
InChIKeyULXMUCMIFLBLKX-UHFFFAOYSA-N
XLogP3.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33136012
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
2-chloro-5-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448922
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 42224466) is 2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is ULXMUCMIFLBLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c21-16-7-8-19(22)18(15-16)20(26)23-9-4-10-24-11-13-25(14-12-24)17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14H2,(H,23,26).
What are the key properties of 2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 392.33 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 42224466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).