2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide

C20H18ClFN6O3 — CID 89362016

About 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide

2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide (PubChem CID 89362016) has the molecular formula C20H18ClFN6O3 and a molecular weight of 444.85 g/mol. Its IUPAC name is 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide
• PubChem CID: 89362016
• Molecular Formula: C20H18ClFN6O3
• Molecular Weight: 444.85 g/mol
• Exact Mass: 444.11
• IUPAC Name: 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide
• SMILES: NC(=O)c1cc(-c2ccc(/C=N\Nc3ncc(F)c(N4CCOCC4)n3)o2)ccc1Cl
• InChI: InChI=1S/C20H18ClFN6O3/c21-15-3-1-12(9-14(15)18(23)29)17-4-2-13(31-17)10-25-27-20-24-11-16(22)19(26-20)28-5-7-30-8-6-28/h1-4,9-11H,5-8H2,(H2,23,29)(H,24,26,27)/b25-10-
• InChIKey: OBLHISLXOQODBN-MRUKODCESA-N
• XLogP: 2.91
• TPSA: 118.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.85
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide?

The IUPAC name of 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide (CID 89362016) is 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide.

What is the SMILES notation for 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide?

The canonical SMILES for 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide is NC(=O)c1cc(-c2ccc(/C=N\Nc3ncc(F)c(N4CCOCC4)n3)o2)ccc1Cl.

What is the InChIKey of 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide?

The InChIKey is OBLHISLXOQODBN-MRUKODCESA-N. The full InChI is InChI=1S/C20H18ClFN6O3/c21-15-3-1-12(9-14(15)18(23)29)17-4-2-13(31-17)10-25-27-20-24-11-16(22)19(26-20)28-5-7-30-8-6-28/h1-4,9-11H,5-8H2,(H2,23,29)(H,24,26,27)/b25-10-.

What are the key properties of 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide?

2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide has a molecular weight of 444.85 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzamide is sourced from PubChem (CID 89362016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).