5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C33H34ClF2N3O3 — CID 66701204

About 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66701204) has the molecular formula C33H34ClF2N3O3 and a molecular weight of 594.10 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 66701204
• Molecular Formula: C33H34ClF2N3O3
• Molecular Weight: 594.10 g/mol
• Exact Mass: 593.23
• IUPAC Name: 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: COc1ccc(CC2CCC3(CC2)CN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(Cl)ccc2F)CC4)CN3)cc1F
• InChI: InChI=1S/C33H34ClF2N3O3/c1-42-30-9-2-21(15-28(30)36)14-20-10-12-33(13-11-20)18-39(19-37-33)32(41)23-4-3-22-5-8-29(25(22)16-23)38-31(40)26-17-24(34)6-7-27(26)35/h2-4,6-7,9,15-17,20,29,37H,5,8,10-14,18-19H2,1H3,(H,38,40)
• InChIKey: HAOANGPPPSCLDZ-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.10
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66701204) is 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is COc1ccc(CC2CCC3(CC2)CN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(Cl)ccc2F)CC4)CN3)cc1F.

What is the InChIKey of 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is HAOANGPPPSCLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClF2N3O3/c1-42-30-9-2-21(15-28(30)36)14-20-10-12-33(13-11-20)18-39(19-37-33)32(41)23-4-3-22-5-8-29(25(22)16-23)38-31(40)26-17-24(34)6-7-27(26)35/h2-4,6-7,9,15-17,20,29,37H,5,8,10-14,18-19H2,1H3,(H,38,40).

What are the key properties of 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 594.10 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-fluoro-N-[6-[8-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66701204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).