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

C32H32ClF2N3O2 — CID 66700855

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

2-chloro-N-[6-[8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66700855) has the molecular formula C32H32ClF2N3O2 and a molecular weight of 564.08 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-[(2,5-difluorophenyl)methyl]-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-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 66700855
• Molecular Formula: C32H32ClF2N3O2
• Molecular Weight: 564.08 g/mol
• Exact Mass: 563.22
• IUPAC Name: 2-chloro-N-[6-[8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5cc(F)ccc5F)CC4)C3)cc21)c1ccccc1Cl
• InChI: InChI=1S/C32H32ClF2N3O2/c33-27-4-2-1-3-25(27)30(39)36-29-10-7-21-5-6-22(18-26(21)29)31(40)38-16-13-32(20-38)11-14-37(15-12-32)19-23-17-24(34)8-9-28(23)35/h1-6,8-9,17-18,29H,7,10-16,19-20H2,(H,36,39)
• InChIKey: CMAJLBYPGHFYNK-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.08
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[8-[(2,5-difluorophenyl)methyl]-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-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66700855) is 2-chloro-N-[6-[8-[(2,5-difluorophenyl)methyl]-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-[(2,5-difluorophenyl)methyl]-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-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5cc(F)ccc5F)CC4)C3)cc21)c1ccccc1Cl.

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

The InChIKey is CMAJLBYPGHFYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClF2N3O2/c33-27-4-2-1-3-25(27)30(39)36-29-10-7-21-5-6-22(18-26(21)29)31(40)38-16-13-32(20-38)11-14-37(15-12-32)19-23-17-24(34)8-9-28(23)35/h1-6,8-9,17-18,29H,7,10-16,19-20H2,(H,36,39).

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

2-chloro-N-[6-[8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 564.08 g/mol, XLogP of 6.16, 5 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-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66700855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).