5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

C19H22ClN3O2 — CID 1247913

IUPAC5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)17-6-4-3-5-16(17)21-19(24)15-13-14(20)7-8-18(15)25-2/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyCLCZLSWNRLPIOR-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.35
Rot. Bonds4

About 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 1247913) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID1247913
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)17-6-4-3-5-16(17)21-19(24)15-13-14(20)7-8-18(15)25-2/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyCLCZLSWNRLPIOR-UHFFFAOYSA-N
XLogP3.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-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 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 1247913) is 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is CLCZLSWNRLPIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)17-6-4-3-5-16(17)21-19(24)15-13-14(20)7-8-18(15)25-2/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 359.86 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1247913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).