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

C32H30Cl2FN3O3 — CID 66700852

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

2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66700852) has the molecular formula C32H30Cl2FN3O3 and a molecular weight of 594.51 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 66700852
• Molecular Formula: C32H30Cl2FN3O3
• Molecular Weight: 594.51 g/mol
• Exact Mass: 593.16
• IUPAC Name: 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(C(=O)c5ccc(F)cc5Cl)CC4)C3)cc21)c1ccccc1Cl
• InChI: InChI=1S/C32H30Cl2FN3O3/c33-26-4-2-1-3-23(26)29(39)36-28-10-7-20-5-6-21(17-25(20)28)30(40)38-16-13-32(19-38)11-14-37(15-12-32)31(41)24-9-8-22(35)18-27(24)34/h1-6,8-9,17-18,28H,7,10-16,19H2,(H,36,39)
• InChIKey: UWBILZQVAYQGEQ-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.51
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66700852) is 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

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

The canonical SMILES for 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(C(=O)c5ccc(F)cc5Cl)CC4)C3)cc21)c1ccccc1Cl.

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

The InChIKey is UWBILZQVAYQGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl2FN3O3/c33-26-4-2-1-3-23(26)29(39)36-28-10-7-20-5-6-21(17-25(20)28)30(40)38-16-13-32(19-38)11-14-37(15-12-32)31(41)24-9-8-22(35)18-27(24)34/h1-6,8-9,17-18,28H,7,10-16,19H2,(H,36,39).

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

2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 594.51 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66700852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).