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

C35H36ClF4N3O2 — CID 46935782

IUPAC2-chloro-N-[6-[8-[3-(4-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCCc5ccc(F)cc5)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C35H36ClF4N3O2/c36-30-11-8-26(35(38,39)40)21-29(30)32(44)41-31-12-7-24-5-6-25(20-28(24)31)33(45)43-19-15-34(22-43)13-17-42(18-14-34)16-1-2-23-3-9-27(37)10-4-23/h3-6,8-11,20-21,31H,1-2,7,12-19,22H2,(H,41,44)
InChIKeyQEKBDEZQJMTMAM-UHFFFAOYSA-N
MW642.14 g/mol
LogP7.48
Rot. Bonds7

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

2-chloro-N-[6-[8-[3-(4-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide (PubChem CID 46935782) has the molecular formula C35H36ClF4N3O2 and a molecular weight of 642.14 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-[3-(4-fluorophenyl)propyl]-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-[3-(4-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
PubChem CID46935782
Molecular FormulaC35H36ClF4N3O2
Molecular Weight642.14 g/mol
Exact Mass641.24
IUPAC Name2-chloro-N-[6-[8-[3-(4-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCCc5ccc(F)cc5)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C35H36ClF4N3O2/c36-30-11-8-26(35(38,39)40)21-29(30)32(44)41-31-12-7-24-5-6-25(20-28(24)31)33(45)43-19-15-34(22-43)13-17-42(18-14-34)16-1-2-23-3-9-27(37)10-4-23/h3-6,8-11,20-21,31H,1-2,7,12-19,22H2,(H,41,44)
InChIKeyQEKBDEZQJMTMAM-UHFFFAOYSA-N
XLogP7.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.14
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[6-[8-[3-(4-fluorophenyl)propyl]-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-[3-(4-fluorophenyl)propyl]-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-[3-(4-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide (CID 46935782) is 2-chloro-N-[6-[8-[3-(4-fluorophenyl)propyl]-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-[3-(4-fluorophenyl)propyl]-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-[3-(4-fluorophenyl)propyl]-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(CCCc5ccc(F)cc5)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[6-[8-[3-(4-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is QEKBDEZQJMTMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClF4N3O2/c36-30-11-8-26(35(38,39)40)21-29(30)32(44)41-31-12-7-24-5-6-25(20-28(24)31)33(45)43-19-15-34(22-43)13-17-42(18-14-34)16-1-2-23-3-9-27(37)10-4-23/h3-6,8-11,20-21,31H,1-2,7,12-19,22H2,(H,41,44).
What are the key properties of 2-chloro-N-[6-[8-[3-(4-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[6-[8-[3-(4-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 642.14 g/mol, XLogP of 7.48, 7 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-[3-(4-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 46935782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).