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

C25H27ClFN3O2 — CID 59505395

IUPAC2-chloro-N-[6-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CCNCC4)C3)cc21)c1c(F)cccc1Cl
InChIInChI=1S/C25H27ClFN3O2/c26-19-2-1-3-20(27)22(19)23(31)29-21-7-6-16-4-5-17(14-18(16)21)24(32)30-13-10-25(15-30)8-11-28-12-9-25/h1-5,14,21,28H,6-13,15H2,(H,29,31)
InChIKeyPLBOUTCCXGLLNX-UHFFFAOYSA-N
MW455.96 g/mol
LogP4.11
Rot. Bonds3

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

2-chloro-N-[6-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide (PubChem CID 59505395) has the molecular formula C25H27ClFN3O2 and a molecular weight of 455.96 g/mol. Its IUPAC name is 2-chloro-N-[6-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide
PubChem CID59505395
Molecular FormulaC25H27ClFN3O2
Molecular Weight455.96 g/mol
Exact Mass455.18
IUPAC Name2-chloro-N-[6-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CCNCC4)C3)cc21)c1c(F)cccc1Cl
InChIInChI=1S/C25H27ClFN3O2/c26-19-2-1-3-20(27)22(19)23(31)29-21-7-6-16-4-5-17(14-18(16)21)24(32)30-13-10-25(15-30)8-11-28-12-9-25/h1-5,14,21,28H,6-13,15H2,(H,29,31)
InChIKeyPLBOUTCCXGLLNX-UHFFFAOYSA-N
XLogP4.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.96
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700820
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
2-chloro-N-[6-[8-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide
CID 46935934
2-chloro-6-fluoro-N-[6-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700795
2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700852
2-chloro-N-[6-[8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700855
2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700687
2-chloro-N-[(1S)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 46936088
2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 46935840
2-chloro-N-[6-[3-(2,4-difluorobenzoyl)-3,9-diazaspiro[5.5]undecane-9-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700856
5-chloro-N-[6-[8-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide
CID 46935435
5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66701124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(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-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide (CID 59505395) is 2-chloro-N-[6-(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-(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-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CCNCC4)C3)cc21)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[6-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide?
The InChIKey is PLBOUTCCXGLLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN3O2/c26-19-2-1-3-20(27)22(19)23(31)29-21-7-6-16-4-5-17(14-18(16)21)24(32)30-13-10-25(15-30)8-11-28-12-9-25/h1-5,14,21,28H,6-13,15H2,(H,29,31).
What are the key properties of 2-chloro-N-[6-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide?
2-chloro-N-[6-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide has a molecular weight of 455.96 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-6-fluorobenzamide is sourced from PubChem (CID 59505395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).