9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C20H26ClFN2O2 — CID 66722490

IUPAC9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1cccc(F)c1Cl)C2
InChIInChI=1S/C20H26ClFN2O2/c21-18-16(22)3-1-4-17(18)23-11-2-9-20(13-23)10-12-24(19(20)26)14-5-7-15(25)8-6-14/h1,3-4,14-15,25H,2,5-13H2
InChIKeyBLOQDWJVUUWZET-UHFFFAOYSA-N
MW380.89 g/mol
LogP3.60
Rot. Bonds2

About 9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 66722490) has the molecular formula C20H26ClFN2O2 and a molecular weight of 380.89 g/mol. Its IUPAC name is 9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID66722490
Molecular FormulaC20H26ClFN2O2
Molecular Weight380.89 g/mol
Exact Mass380.17
IUPAC Name9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1cccc(F)c1Cl)C2
InChIInChI=1S/C20H26ClFN2O2/c21-18-16(22)3-1-4-17(18)23-11-2-9-20(13-23)10-12-24(19(20)26)14-5-7-15(25)8-6-14/h1,3-4,14-15,25H,2,5-13H2
InChIKeyBLOQDWJVUUWZET-UHFFFAOYSA-N
XLogP3.60
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.89
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 66722490) is 9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCCN(c1cccc(F)c1Cl)C2.
What is the InChIKey of 9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is BLOQDWJVUUWZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClFN2O2/c21-18-16(22)3-1-4-17(18)23-11-2-9-20(13-23)10-12-24(19(20)26)14-5-7-15(25)8-6-14/h1,3-4,14-15,25H,2,5-13H2.
What are the key properties of 9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 380.89 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 66722490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).