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

C22H22ClN3O2 — CID 71718899

IUPAC2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(-c3ccco3)cc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H22ClN3O2/c1-25-10-12-26(13-11-25)20-9-8-16(21-7-4-14-28-21)15-19(20)24-22(27)17-5-2-3-6-18(17)23/h2-9,14-15H,10-13H2,1H3,(H,24,27)
InChIKeyNXHDMDGEYLWCRN-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.60
Rot. Bonds4

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

2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 71718899) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID71718899
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(-c3ccco3)cc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H22ClN3O2/c1-25-10-12-26(13-11-25)20-9-8-16(21-7-4-14-28-21)15-19(20)24-22(27)17-5-2-3-6-18(17)23/h2-9,14-15H,10-13H2,1H3,(H,24,27)
InChIKeyNXHDMDGEYLWCRN-UHFFFAOYSA-N
XLogP4.60
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 71718899) is 2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccc(-c3ccco3)cc2NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is NXHDMDGEYLWCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-25-10-12-26(13-11-25)20-9-8-16(21-7-4-14-28-21)15-19(20)24-22(27)17-5-2-3-6-18(17)23/h2-9,14-15H,10-13H2,1H3,(H,24,27).
What are the key properties of 2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide?
2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 395.89 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(furan-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 71718899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).