2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C32H34ClFN4O2 — CID 66700795

About 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66700795) has the molecular formula C32H34ClFN4O2 and a molecular weight of 561.10 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 66700795
• Molecular Formula: C32H34ClFN4O2
• Molecular Weight: 561.10 g/mol
• Exact Mass: 560.24
• IUPAC Name: 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccccn5)CC4)CC3)cc21)c1c(F)cccc1Cl
• InChI: InChI=1S/C32H34ClFN4O2/c33-26-5-3-6-27(34)29(26)30(39)36-28-10-9-22-7-8-23(20-25(22)28)31(40)38-18-13-32(14-19-38)11-16-37(17-12-32)21-24-4-1-2-15-35-24/h1-8,15,20,28H,9-14,16-19,21H2,(H,36,39)
• InChIKey: ZZGALJULZXBLIX-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.10
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66700795) is 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccccn5)CC4)CC3)cc21)c1c(F)cccc1Cl.

What is the InChIKey of 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is ZZGALJULZXBLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClFN4O2/c33-26-5-3-6-27(34)29(26)30(39)36-28-10-9-22-7-8-23(20-25(22)28)31(40)38-18-13-32(14-19-38)11-16-37(17-12-32)21-24-4-1-2-15-35-24/h1-8,15,20,28H,9-14,16-19,21H2,(H,36,39).

What are the key properties of 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 561.10 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66700795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).