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

C33H31ClF5N3O2 — CID 46935483

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

2-chloro-N-[6-[8-[(2,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide (PubChem CID 46935483) has the molecular formula C33H31ClF5N3O2 and a molecular weight of 632.07 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-[(2,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[6-[8-[(2,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
• PubChem CID: 46935483
• Molecular Formula: C33H31ClF5N3O2
• Molecular Weight: 632.07 g/mol
• Exact Mass: 631.20
• IUPAC Name: 2-chloro-N-[6-[8-[(2,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
• SMILES: O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc(F)cc5F)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl
• InChI: InChI=1S/C33H31ClF5N3O2/c34-27-7-5-23(33(37,38)39)16-26(27)30(43)40-29-8-4-20-1-2-21(15-25(20)29)31(44)42-14-11-32(19-42)9-12-41(13-10-32)18-22-3-6-24(35)17-28(22)36/h1-3,5-7,15-17,29H,4,8-14,18-19H2,(H,40,43)
• InChIKey: BLAPQUBFVSDZRZ-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.07
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[6-[8-[(2,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide (CID 46935483) is 2-chloro-N-[6-[8-[(2,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide.

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

The canonical SMILES for 2-chloro-N-[6-[8-[(2,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc(F)cc5F)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl.

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

The InChIKey is BLAPQUBFVSDZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClF5N3O2/c34-27-7-5-23(33(37,38)39)16-26(27)30(43)40-29-8-4-20-1-2-21(15-25(20)29)31(44)42-14-11-32(19-42)9-12-41(13-10-32)18-22-3-6-24(35)17-28(22)36/h1-3,5-7,15-17,29H,4,8-14,18-19H2,(H,40,43).

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

2-chloro-N-[6-[8-[(2,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 632.07 g/mol, XLogP of 7.18, 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-[(2,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 46935483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).