4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

C19H22ClN3O — CID 56685918

IUPAC4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-22-10-12-23(13-11-22)18-8-2-15(3-9-18)14-21-19(24)16-4-6-17(20)7-5-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyROHTTZHVALHXEH-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.02
Rot. Bonds4

About 4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (PubChem CID 56685918) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
PubChem CID56685918
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-22-10-12-23(13-11-22)18-8-2-15(3-9-18)14-21-19(24)16-4-6-17(20)7-5-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyROHTTZHVALHXEH-UHFFFAOYSA-N
XLogP3.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180
3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 100590839
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 50944989
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]benzamide
CID 110601103
4-[ethylsulfonyl(methyl)amino]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56699116
methyl 4-[4-[(4-chlorophenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113107978
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
4-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-nitrobenzamide
CID 99970857
N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide
CID 24988747
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (CID 56685918) is 4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The InChIKey is ROHTTZHVALHXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-22-10-12-23(13-11-22)18-8-2-15(3-9-18)14-21-19(24)16-4-6-17(20)7-5-16/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide has a molecular weight of 343.86 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 56685918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).