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

C34H32ClF3N4O2 — CID 46935532

IUPAC2-chloro-N-[6-[8-[(2-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
SMILESN#Cc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC3)C2
InChIInChI=1S/C34H32ClF3N4O2/c35-29-9-8-26(34(36,37)38)18-28(29)31(43)40-30-10-7-22-5-6-23(17-27(22)30)32(44)42-16-13-33(21-42)11-14-41(15-12-33)20-25-4-2-1-3-24(25)19-39/h1-6,8-9,17-18,30H,7,10-16,20-21H2,(H,40,43)
InChIKeyMFTKPYJJRXVHBP-UHFFFAOYSA-N
MW621.10 g/mol
LogP6.78
Rot. Bonds5

About 2-chloro-N-[6-[8-[(2-cyanophenyl)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-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide (PubChem CID 46935532) has the molecular formula C34H32ClF3N4O2 and a molecular weight of 621.10 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-[(2-cyanophenyl)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-[(2-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
PubChem CID46935532
Molecular FormulaC34H32ClF3N4O2
Molecular Weight621.10 g/mol
Exact Mass620.22
IUPAC Name2-chloro-N-[6-[8-[(2-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
SMILESN#Cc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC3)C2
InChIInChI=1S/C34H32ClF3N4O2/c35-29-9-8-26(34(36,37)38)18-28(29)31(43)40-30-10-7-22-5-6-23(17-27(22)30)32(44)42-16-13-33(21-42)11-14-41(15-12-33)20-25-4-2-1-3-24(25)19-39/h1-6,8-9,17-18,30H,7,10-16,20-21H2,(H,40,43)
InChIKeyMFTKPYJJRXVHBP-UHFFFAOYSA-N
XLogP6.78
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.10
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[6-[8-[(2-cyanophenyl)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-[(2-cyanophenyl)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-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide (CID 46935532) is 2-chloro-N-[6-[8-[(2-cyanophenyl)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-cyanophenyl)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-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide is N#Cc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC3)C2.
What is the InChIKey of 2-chloro-N-[6-[8-[(2-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is MFTKPYJJRXVHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClF3N4O2/c35-29-9-8-26(34(36,37)38)18-28(29)31(43)40-30-10-7-22-5-6-23(17-27(22)30)32(44)42-16-13-33(21-42)11-14-41(15-12-33)20-25-4-2-1-3-24(25)19-39/h1-6,8-9,17-18,30H,7,10-16,20-21H2,(H,40,43).
What are the key properties of 2-chloro-N-[6-[8-[(2-cyanophenyl)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-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 621.10 g/mol, XLogP of 6.78, 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-[(2-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 46935532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).