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

C34H35ClN4O2 — CID 66701254

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

2-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide (PubChem CID 66701254) has the molecular formula C34H35ClN4O2 and a molecular weight of 567.13 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
• PubChem CID: 66701254
• Molecular Formula: C34H35ClN4O2
• Molecular Weight: 567.13 g/mol
• Exact Mass: 566.24
• IUPAC Name: 2-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
• SMILES: CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CNC4(CCC(Cc5cccc(C#N)c5)CC4)C3)cc21
• InChI: InChI=1S/C34H35ClN4O2/c1-38(33(41)28-7-2-3-8-30(28)35)31-12-11-26-9-10-27(19-29(26)31)32(40)39-21-34(37-22-39)15-13-23(14-16-34)17-24-5-4-6-25(18-24)20-36/h2-10,18-19,23,31,37H,11-17,21-22H2,1H3
• InChIKey: CMDZEZZGJAXZOC-UHFFFAOYSA-N
• XLogP: 6.15
• 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	567.13
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide (CID 66701254) is 2-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide.

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

The canonical SMILES for 2-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CNC4(CCC(Cc5cccc(C#N)c5)CC4)C3)cc21.

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

The InChIKey is CMDZEZZGJAXZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClN4O2/c1-38(33(41)28-7-2-3-8-30(28)35)31-12-11-26-9-10-27(19-29(26)31)32(40)39-21-34(37-22-39)15-13-23(14-16-34)17-24-5-4-6-25(18-24)20-36/h2-10,18-19,23,31,37H,11-17,21-22H2,1H3.

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

2-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide has a molecular weight of 567.13 g/mol, XLogP of 6.15, 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-[(3-cyanophenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide is sourced from PubChem (CID 66701254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).