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

C20H23Cl2N3O — CID 38448999

IUPAC2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H23Cl2N3O/c21-18-9-4-8-17(19(18)22)20(26)23-10-5-11-24-12-14-25(15-13-24)16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2,(H,23,26)
InChIKeyUVLLKGAZMXWKHG-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.94
Rot. Bonds6

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

2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 38448999) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID38448999
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H23Cl2N3O/c21-18-9-4-8-17(19(18)22)20(26)23-10-5-11-24-12-14-25(15-13-24)16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2,(H,23,26)
InChIKeyUVLLKGAZMXWKHG-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

2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
2,4-dichloro-5-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33136012
2-chloro-5-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448922
N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide
CID 42390241
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide
CID 38449040
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide
CID 54576142
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride
CID 90665201

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 38448999) is 2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is UVLLKGAZMXWKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c21-18-9-4-8-17(19(18)22)20(26)23-10-5-11-24-12-14-25(15-13-24)16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2,(H,23,26).
What are the key properties of 2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
2,3-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 2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 38448999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).