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

C32H31Cl2F2N3O2 — CID 46935934

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

2-chloro-N-[6-[8-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide (PubChem CID 46935934) has the molecular formula C32H31Cl2F2N3O2 and a molecular weight of 598.52 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[6-[8-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide
• PubChem CID: 46935934
• Molecular Formula: C32H31Cl2F2N3O2
• Molecular Weight: 598.52 g/mol
• Exact Mass: 597.18
• IUPAC Name: 2-chloro-N-[6-[8-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide
• SMILES: O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc(F)cc5Cl)CC4)C3)cc21)c1c(F)cccc1Cl
• InChI: InChI=1S/C32H31Cl2F2N3O2/c33-25-2-1-3-27(36)29(25)30(40)37-28-9-7-20-4-5-21(16-24(20)28)31(41)39-15-12-32(19-39)10-13-38(14-11-32)18-22-6-8-23(35)17-26(22)34/h1-6,8,16-17,28H,7,9-15,18-19H2,(H,37,40)
• InChIKey: PANMOFCMHZNNPA-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.52
LogP ≤ 5	6.82
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-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide?

The IUPAC name of 2-chloro-N-[6-[8-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide (CID 46935934) is 2-chloro-N-[6-[8-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide.

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

The canonical SMILES for 2-chloro-N-[6-[8-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc(F)cc5Cl)CC4)C3)cc21)c1c(F)cccc1Cl.

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

The InChIKey is PANMOFCMHZNNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31Cl2F2N3O2/c33-25-2-1-3-27(36)29(25)30(40)37-28-9-7-20-4-5-21(16-24(20)28)31(41)39-15-12-32(19-39)10-13-38(14-11-32)18-22-6-8-23(35)17-26(22)34/h1-6,8,16-17,28H,7,9-15,18-19H2,(H,37,40).

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

2-chloro-N-[6-[8-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide has a molecular weight of 598.52 g/mol, XLogP of 6.82, 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-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide is sourced from PubChem (CID 46935934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).