3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide

C21H24ClN3O3 — CID 2944182

IUPAC3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O3/c1-3-20(26)25-12-10-24(11-13-25)18-7-5-4-6-17(18)23-21(27)15-8-9-19(28-2)16(22)14-15/h4-9,14H,3,10-13H2,1-2H3,(H,23,27)
InChIKeySVHVKYXIUCYMGJ-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.66
Rot. Bonds5

About 3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide

3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide (PubChem CID 2944182) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
PubChem CID2944182
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O3/c1-3-20(26)25-12-10-24(11-13-25)18-7-5-4-6-17(18)23-21(27)15-8-9-19(28-2)16(22)14-15/h4-9,14H,3,10-13H2,1-2H3,(H,23,27)
InChIKeySVHVKYXIUCYMGJ-UHFFFAOYSA-N
XLogP3.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide (CID 2944182) is 3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide is CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is SVHVKYXIUCYMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-3-20(26)25-12-10-24(11-13-25)18-7-5-4-6-17(18)23-21(27)15-8-9-19(28-2)16(22)14-15/h4-9,14H,3,10-13H2,1-2H3,(H,23,27).
What are the key properties of 3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 401.89 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 2944182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).