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

C24H31ClN4O2 — CID 55652300

IUPAC2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1cccc(N2CCN(CCCNC(=O)C(C)NC(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C24H31ClN4O2/c1-18-7-5-8-20(17-18)29-15-13-28(14-16-29)12-6-11-26-23(30)19(2)27-24(31)21-9-3-4-10-22(21)25/h3-5,7-10,17,19H,6,11-16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyVWNFCXFSPGHCRL-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.10
Rot. Bonds8

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

2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 55652300) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide
PubChem CID55652300
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1cccc(N2CCN(CCCNC(=O)C(C)NC(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C24H31ClN4O2/c1-18-7-5-8-20(17-18)29-15-13-28(14-16-29)12-6-11-26-23(30)19(2)27-24(31)21-9-3-4-10-22(21)25/h3-5,7-10,17,19H,6,11-16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyVWNFCXFSPGHCRL-UHFFFAOYSA-N
XLogP3.10
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.10
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-chloro-N-[3-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxobutan-2-yl]benzamide
CID 46402931
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide
CID 55624203
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
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-methyl-N-[3-methyl-1-oxo-1-[3-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]benzamide
CID 55638967
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
2-chloro-N-[(2S)-1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51941916
2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 34250678

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide (CID 55652300) is 2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide is Cc1cccc(N2CCN(CCCNC(=O)C(C)NC(=O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of 2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is VWNFCXFSPGHCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O2/c1-18-7-5-8-20(17-18)29-15-13-28(14-16-29)12-6-11-26-23(30)19(2)27-24(31)21-9-3-4-10-22(21)25/h3-5,7-10,17,19H,6,11-16H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 442.99 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55652300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).