2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide

C21H26ClN3O — CID 38441075

IUPAC2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
SMILESCc1cccc(N2CCN(CCCNC(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C21H26ClN3O/c1-17-6-4-7-18(16-17)25-14-12-24(13-15-25)11-5-10-23-21(26)19-8-2-3-9-20(19)22/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,26)
InChIKeyMJXNZQLLUVBULV-UHFFFAOYSA-N
MW371.91 g/mol
LogP3.59
Rot. Bonds6

About 2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide

2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 38441075) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
PubChem CID38441075
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
SMILESCc1cccc(N2CCN(CCCNC(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C21H26ClN3O/c1-17-6-4-7-18(16-17)25-14-12-24(13-15-25)11-5-10-23-21(26)19-8-2-3-9-20(19)22/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,26)
InChIKeyMJXNZQLLUVBULV-UHFFFAOYSA-N
XLogP3.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.59
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-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide
CID 55652300
2-chloro-N-[3-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxobutan-2-yl]benzamide
CID 46402931
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide (CID 38441075) is 2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide is Cc1cccc(N2CCN(CCCNC(=O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of 2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is MJXNZQLLUVBULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-17-6-4-7-18(16-17)25-14-12-24(13-15-25)11-5-10-23-21(26)19-8-2-3-9-20(19)22/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,26).
What are the key properties of 2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 371.91 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 38441075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).