4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide

C26H28ClN3O — CID 42858799

IUPAC4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(CN3CCN(c4ccccc4Cl)CC3)cc2)c1
InChIInChI=1S/C26H28ClN3O/c1-20-5-4-6-22(17-20)18-28-26(31)23-11-9-21(10-12-23)19-29-13-15-30(16-14-29)25-8-3-2-7-24(25)27/h2-12,17H,13-16,18-19H2,1H3,(H,28,31)
InChIKeyGQXDYVYEIPYLBA-UHFFFAOYSA-N
MW433.98 g/mol
LogP4.90
Rot. Bonds6

About 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide

4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 42858799) has the molecular formula C26H28ClN3O and a molecular weight of 433.98 g/mol. Its IUPAC name is 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
PubChem CID42858799
Molecular FormulaC26H28ClN3O
Molecular Weight433.98 g/mol
Exact Mass433.19
IUPAC Name4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(CN3CCN(c4ccccc4Cl)CC3)cc2)c1
InChIInChI=1S/C26H28ClN3O/c1-20-5-4-6-22(17-20)18-28-26(31)23-11-9-21(10-12-23)19-29-13-15-30(16-14-29)25-8-3-2-7-24(25)27/h2-12,17H,13-16,18-19H2,1H3,(H,28,31)
InChIKeyGQXDYVYEIPYLBA-UHFFFAOYSA-N
XLogP4.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46055736
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858798
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858721
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858807
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108907
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42858806
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 134006341
1-[(2-chlorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021309

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide (CID 42858799) is 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(CN3CCN(c4ccccc4Cl)CC3)cc2)c1.
What is the InChIKey of 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is GQXDYVYEIPYLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O/c1-20-5-4-6-22(17-20)18-28-26(31)23-11-9-21(10-12-23)19-29-13-15-30(16-14-29)25-8-3-2-7-24(25)27/h2-12,17H,13-16,18-19H2,1H3,(H,28,31).
What are the key properties of 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 433.98 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 42858799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).