2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide

C20H24ClN3O — CID 120905897

IUPAC2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCC1CN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)C(C)CN1
InChIInChI=1S/C20H24ClN3O/c1-14-12-24(15(2)11-22-14)13-16-6-5-7-17(10-16)23-20(25)18-8-3-4-9-19(18)21/h3-10,14-15,22H,11-13H2,1-2H3,(H,23,25)
InChIKeyDXUCWQIUMCDJEX-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.77
Rot. Bonds4

About 2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide

2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide (PubChem CID 120905897) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide
PubChem CID120905897
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCC1CN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)C(C)CN1
InChIInChI=1S/C20H24ClN3O/c1-14-12-24(15(2)11-22-14)13-16-6-5-7-17(10-16)23-20(25)18-8-3-4-9-19(18)21/h3-10,14-15,22H,11-13H2,1-2H3,(H,23,25)
InChIKeyDXUCWQIUMCDJEX-UHFFFAOYSA-N
XLogP3.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
(2S)-1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038743
1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid
CID 122040449
N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 120905888
2-chloro-N-[3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenyl]benzamide
CID 120967927
2-chloro-N-[3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 120967926
1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine
CID 64979055
2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide
CID 120906565
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601974
2-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride
CID 120907723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide (CID 120905897) is 2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide is CC1CN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)C(C)CN1.
What is the InChIKey of 2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide?
The InChIKey is DXUCWQIUMCDJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-14-12-24(15(2)11-22-14)13-16-6-5-7-17(10-16)23-20(25)18-8-3-4-9-19(18)21/h3-10,14-15,22H,11-13H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide?
2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide has a molecular weight of 357.89 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 120905897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).