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

C34H34ClF3N6O2 — CID 67546834

IUPAC2-chloro-N-[6-[8-[(1-methylbenzotriazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
SMILESCn1nnc2cc(CN3CCC4(CC3)CCN(C(=O)c3ccc5c(c3)C(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC5)C4)ccc21
InChIInChI=1S/C34H34ClF3N6O2/c1-42-30-9-2-21(16-29(30)40-41-42)19-43-13-10-33(11-14-43)12-15-44(20-33)32(46)23-4-3-22-5-8-28(25(22)17-23)39-31(45)26-18-24(34(36,37)38)6-7-27(26)35/h2-4,6-7,9,16-18,28H,5,8,10-15,19-20H2,1H3,(H,39,45)
InChIKeySEYQZOPGPVGLBR-UHFFFAOYSA-N
MW651.13 g/mol
LogP6.19
Rot. Bonds5

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

2-chloro-N-[6-[8-[(1-methylbenzotriazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide (PubChem CID 67546834) has the molecular formula C34H34ClF3N6O2 and a molecular weight of 651.13 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-[(1-methylbenzotriazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[8-[(1-methylbenzotriazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
PubChem CID67546834
Molecular FormulaC34H34ClF3N6O2
Molecular Weight651.13 g/mol
Exact Mass650.24
IUPAC Name2-chloro-N-[6-[8-[(1-methylbenzotriazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
SMILESCn1nnc2cc(CN3CCC4(CC3)CCN(C(=O)c3ccc5c(c3)C(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC5)C4)ccc21
InChIInChI=1S/C34H34ClF3N6O2/c1-42-30-9-2-21(16-29(30)40-41-42)19-43-13-10-33(11-14-43)12-15-44(20-33)32(46)23-4-3-22-5-8-28(25(22)17-23)39-31(45)26-18-24(34(36,37)38)6-7-27(26)35/h2-4,6-7,9,16-18,28H,5,8,10-15,19-20H2,1H3,(H,39,45)
InChIKeySEYQZOPGPVGLBR-UHFFFAOYSA-N
XLogP6.19
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.13
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[8-[(1-methylbenzotriazol-5-yl)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-[(1-methylbenzotriazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide (CID 67546834) is 2-chloro-N-[6-[8-[(1-methylbenzotriazol-5-yl)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-[(1-methylbenzotriazol-5-yl)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-[(1-methylbenzotriazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide is Cn1nnc2cc(CN3CCC4(CC3)CCN(C(=O)c3ccc5c(c3)C(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC5)C4)ccc21.
What is the InChIKey of 2-chloro-N-[6-[8-[(1-methylbenzotriazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is SEYQZOPGPVGLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34ClF3N6O2/c1-42-30-9-2-21(16-29(30)40-41-42)19-43-13-10-33(11-14-43)12-15-44(20-33)32(46)23-4-3-22-5-8-28(25(22)17-23)39-31(45)26-18-24(34(36,37)38)6-7-27(26)35/h2-4,6-7,9,16-18,28H,5,8,10-15,19-20H2,1H3,(H,39,45).
What are the key properties of 2-chloro-N-[6-[8-[(1-methylbenzotriazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[6-[8-[(1-methylbenzotriazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 651.13 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[8-[(1-methylbenzotriazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 67546834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).