9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H26ClFN2O2 — CID 70748769

IUPAC9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1Cl)CC2
InChIInChI=1S/C19H26ClFN2O2/c1-25-11-10-23-14-19(5-4-18(23)24)6-8-22(9-7-19)13-15-12-16(21)2-3-17(15)20/h2-3,12H,4-11,13-14H2,1H3
InChIKeyAIMBEDSZAQZPGC-UHFFFAOYSA-N
MW368.88 g/mol
LogP3.33
Rot. Bonds5

About 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70748769) has the molecular formula C19H26ClFN2O2 and a molecular weight of 368.88 g/mol. Its IUPAC name is 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70748769
Molecular FormulaC19H26ClFN2O2
Molecular Weight368.88 g/mol
Exact Mass368.17
IUPAC Name9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1Cl)CC2
InChIInChI=1S/C19H26ClFN2O2/c1-25-11-10-23-14-19(5-4-18(23)24)6-8-22(9-7-19)13-15-12-16(21)2-3-17(15)20/h2-3,12H,4-11,13-14H2,1H3
InChIKeyAIMBEDSZAQZPGC-UHFFFAOYSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.88
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70748769) is 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1Cl)CC2.
What is the InChIKey of 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AIMBEDSZAQZPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O2/c1-25-11-10-23-14-19(5-4-18(23)24)6-8-22(9-7-19)13-15-12-16(21)2-3-17(15)20/h2-3,12H,4-11,13-14H2,1H3.
What are the key properties of 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 368.88 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70748769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).