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

C33H32ClFN4O2 — CID 46935888

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

2-chloro-N-[6-[8-[(4-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide (PubChem CID 46935888) has the molecular formula C33H32ClFN4O2 and a molecular weight of 571.10 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-[(4-cyanophenyl)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-[(4-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide
• PubChem CID: 46935888
• Molecular Formula: C33H32ClFN4O2
• Molecular Weight: 571.10 g/mol
• Exact Mass: 570.22
• IUPAC Name: 2-chloro-N-[6-[8-[(4-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide
• SMILES: N#Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2c(F)cccc2Cl)CC4)C3)cc1
• InChI: InChI=1S/C33H32ClFN4O2/c34-27-2-1-3-28(35)30(27)31(40)37-29-11-10-24-8-9-25(18-26(24)29)32(41)39-17-14-33(21-39)12-15-38(16-13-33)20-23-6-4-22(19-36)5-7-23/h1-9,18,29H,10-17,20-21H2,(H,37,40)
• InChIKey: MTZKLHFMOOEUFU-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 76.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.10
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[8-[(4-cyanophenyl)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-[(4-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide (CID 46935888) is 2-chloro-N-[6-[8-[(4-cyanophenyl)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-[(4-cyanophenyl)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-[(4-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide is N#Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2c(F)cccc2Cl)CC4)C3)cc1.

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

The InChIKey is MTZKLHFMOOEUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32ClFN4O2/c34-27-2-1-3-28(35)30(27)31(40)37-29-11-10-24-8-9-25(18-26(24)29)32(41)39-17-14-33(21-39)12-15-38(16-13-33)20-23-6-4-22(19-36)5-7-23/h1-9,18,29H,10-17,20-21H2,(H,37,40).

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

2-chloro-N-[6-[8-[(4-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide has a molecular weight of 571.10 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[6-[8-[(4-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide is sourced from PubChem (CID 46935888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).