(5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C22H23F2N3O2 — CID 3232644

IUPAC(5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C22H23F2N3O2/c23-17-5-1-4-16(12-17)20(28)26-10-3-8-22(14-26)9-11-27(15-22)21(29)25-19-7-2-6-18(24)13-19/h1-2,4-7,12-13H,3,8-11,14-15H2,(H,25,29)/t22-/m1/s1
InChIKeyJFVGNNXMDODHLT-JOCHJYFZSA-N
MW399.44 g/mol
LogP4.12
Rot. Bonds2

About (5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3232644) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is (5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3232644
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name(5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C22H23F2N3O2/c23-17-5-1-4-16(12-17)20(28)26-10-3-8-22(14-26)9-11-27(15-22)21(29)25-19-7-2-6-18(24)13-19/h1-2,4-7,12-13H,3,8-11,14-15H2,(H,25,29)/t22-/m1/s1
InChIKeyJFVGNNXMDODHLT-JOCHJYFZSA-N
XLogP4.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3232644) is (5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is O=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1.
What is the InChIKey of (5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is JFVGNNXMDODHLT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-17-5-1-4-16(12-17)20(28)26-10-3-8-22(14-26)9-11-27(15-22)21(29)25-19-7-2-6-18(24)13-19/h1-2,4-7,12-13H,3,8-11,14-15H2,(H,25,29)/t22-/m1/s1.
What are the key properties of (5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3232644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).