5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide

C20H20FN3O3 — CID 146110307

About 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide

5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide (PubChem CID 146110307) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide.

Molecular Properties

• Compound Name: 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide
• PubChem CID: 146110307
• Molecular Formula: C20H20FN3O3
• Molecular Weight: 369.40 g/mol
• Exact Mass: 369.15
• IUPAC Name: 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide
• SMILES: O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cc(F)ccc1-c1ccoc1
• InChI: InChI=1S/C20H20FN3O3/c21-15-1-2-16(14-3-6-27-11-14)17(9-15)20(26)23-18-7-13(8-19(18)25)10-24-5-4-22-12-24/h1-6,9,11-13,18-19,25H,7-8,10H2,(H,23,26)/t13?,18-,19-/m1/s1
• InChIKey: MKZBFHKXVYDHQH-GFWLXOEUSA-N
• XLogP: 2.85
• TPSA: 80.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.40
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide?

The IUPAC name of 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide (CID 146110307) is 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide.

What is the SMILES notation for 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide?

The canonical SMILES for 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cc(F)ccc1-c1ccoc1.

What is the InChIKey of 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide?

The InChIKey is MKZBFHKXVYDHQH-GFWLXOEUSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-1-2-16(14-3-6-27-11-14)17(9-15)20(26)23-18-7-13(8-19(18)25)10-24-5-4-22-12-24/h1-6,9,11-13,18-19,25H,7-8,10H2,(H,23,26)/t13?,18-,19-/m1/s1.

What are the key properties of 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide?

5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide has a molecular weight of 369.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide is sourced from PubChem (CID 146110307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).