8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H26ClFN2O2 — CID 70788705

IUPAC8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3ccc(Cl)cc3F)C2)CCC1=O
InChIInChI=1S/C19H26ClFN2O2/c1-25-10-9-23-14-19(7-5-18(23)24)6-2-8-22(13-19)12-15-3-4-16(20)11-17(15)21/h3-4,11H,2,5-10,12-14H2,1H3
InChIKeyKVBISUJZHCKBAY-UHFFFAOYSA-N
MW368.88 g/mol
LogP3.33
Rot. Bonds5

About 8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70788705) has the molecular formula C19H26ClFN2O2 and a molecular weight of 368.88 g/mol. Its IUPAC name is 8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70788705
Molecular FormulaC19H26ClFN2O2
Molecular Weight368.88 g/mol
Exact Mass368.17
IUPAC Name8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3ccc(Cl)cc3F)C2)CCC1=O
InChIInChI=1S/C19H26ClFN2O2/c1-25-10-9-23-14-19(7-5-18(23)24)6-2-8-22(13-19)12-15-3-4-16(20)11-17(15)21/h3-4,11H,2,5-10,12-14H2,1H3
InChIKeyKVBISUJZHCKBAY-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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Related Compounds

(6S)-8-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97042051
8-[(2-amino-3-pyridinyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70731550
4-[[(6R)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzamide
CID 97141995
8-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72913831
2-(2-methoxyethyl)-8-[(1-methylindol-6-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70727994
(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113251
2-(2-methoxyethyl)-8-[(1-methylindol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70768959
8-[(2-fluoro-4-methoxyphenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70719508
(6S)-8-[(2-fluoro-4-methoxyphenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96573148
(6S)-8-(5-chloro-2-methylbenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124569
8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725865
N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 91829765

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70788705) is 8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(Cc3ccc(Cl)cc3F)C2)CCC1=O.
What is the InChIKey of 8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is KVBISUJZHCKBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O2/c1-25-10-9-23-14-19(7-5-18(23)24)6-2-8-22(13-19)12-15-3-4-16(20)11-17(15)21/h3-4,11H,2,5-10,12-14H2,1H3.
What are the key properties of 8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-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 8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70788705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).