3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide

C20H24ClN3O — CID 112503169

IUPAC3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2cccc(Cl)c2)c2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c1-23-10-12-24(13-11-23)19(16-6-3-2-4-7-16)15-22-20(25)17-8-5-9-18(21)14-17/h2-9,14,19H,10-13,15H2,1H3,(H,22,25)
InChIKeyVGMGRUGGVJEHNG-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.06
Rot. Bonds5

About 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide

3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide (PubChem CID 112503169) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
PubChem CID112503169
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2cccc(Cl)c2)c2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c1-23-10-12-24(13-11-23)19(16-6-3-2-4-7-16)15-22-20(25)17-8-5-9-18(21)14-17/h2-9,14,19H,10-13,15H2,1H3,(H,22,25)
InChIKeyVGMGRUGGVJEHNG-UHFFFAOYSA-N
XLogP3.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931447
3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 112504717
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide
CID 35573533
3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43843601
3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506584
3-bromo-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43990763
3-chloro-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]benzamide
CID 40948864
1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide
CID 46964107
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
3-bromo-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 51629701

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide (CID 112503169) is 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide is CN1CCN(C(CNC(=O)c2cccc(Cl)c2)c2ccccc2)CC1.
What is the InChIKey of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide?
The InChIKey is VGMGRUGGVJEHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-23-10-12-24(13-11-23)19(16-6-3-2-4-7-16)15-22-20(25)17-8-5-9-18(21)14-17/h2-9,14,19H,10-13,15H2,1H3,(H,22,25).
What are the key properties of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide?
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide has a molecular weight of 357.89 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 112503169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).