9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one

C20H20ClFN2O2 — CID 134805035

IUPAC9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESO=C1COCC2(CN1Cc1c(F)cccc1Cl)CN(c1ccccc1)C2
InChIInChI=1S/C20H20ClFN2O2/c21-17-7-4-8-18(22)16(17)9-23-11-20(14-26-10-19(23)25)12-24(13-20)15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyNHFXDZUTWJUUAP-UHFFFAOYSA-N
MW374.84 g/mol
LogP3.34
Rot. Bonds3

About 9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one

9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one (PubChem CID 134805035) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one.

Molecular Properties

Compound Name9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
PubChem CID134805035
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESO=C1COCC2(CN1Cc1c(F)cccc1Cl)CN(c1ccccc1)C2
InChIInChI=1S/C20H20ClFN2O2/c21-17-7-4-8-18(22)16(17)9-23-11-20(14-26-10-19(23)25)12-24(13-20)15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyNHFXDZUTWJUUAP-UHFFFAOYSA-N
XLogP3.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The IUPAC name of 9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one (CID 134805035) is 9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one.
What is the SMILES notation for 9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The canonical SMILES for 9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one is O=C1COCC2(CN1Cc1c(F)cccc1Cl)CN(c1ccccc1)C2.
What is the InChIKey of 9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The InChIKey is NHFXDZUTWJUUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c21-17-7-4-8-18(22)16(17)9-23-11-20(14-26-10-19(23)25)12-24(13-20)15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of 9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one has a molecular weight of 374.84 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-6-oxa-2,9-diazaspiro[3.6]decan-8-one is sourced from PubChem (CID 134805035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).