9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H24ClFN2O2 — CID 70765699

IUPAC9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3ccc(F)cc3Cl)CC2)CN1CCO
InChIInChI=1S/C18H24ClFN2O2/c19-16-11-15(20)2-1-14(16)12-21-7-5-18(6-8-21)4-3-17(24)22(13-18)9-10-23/h1-2,11,23H,3-10,12-13H2
InChIKeyWHMIETPCECKPAI-UHFFFAOYSA-N
MW354.85 g/mol
LogP2.68
Rot. Bonds4

About 9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70765699) has the molecular formula C18H24ClFN2O2 and a molecular weight of 354.85 g/mol. Its IUPAC name is 9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70765699
Molecular FormulaC18H24ClFN2O2
Molecular Weight354.85 g/mol
Exact Mass354.15
IUPAC Name9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3ccc(F)cc3Cl)CC2)CN1CCO
InChIInChI=1S/C18H24ClFN2O2/c19-16-11-15(20)2-1-14(16)12-21-7-5-18(6-8-21)4-3-17(24)22(13-18)9-10-23/h1-2,11,23H,3-10,12-13H2
InChIKeyWHMIETPCECKPAI-UHFFFAOYSA-N
XLogP2.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-Chloro-5-fluorobenzyl)-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70707604
9-(3,5-Difluorobenzyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713827
9-(2-Chloro-5-fluorobenzyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70718334
9-(2-Chloro-5-fluorobenzyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70748769
2-[9-(4-Chloro-3-fluorobenzyl)-3-oxo-2,9-diazaspiro[5.5]undec-2-yl]acetamide
CID 70755740
2-[9-(2-Chloro-4-fluorobenzyl)-3-oxo-2,9-diazaspiro[5.5]undec-2-yl]acetamide
CID 70758853
2-[9-(2-Chloro-5-fluorobenzyl)-3-oxo-2,9-diazaspiro[5.5]undec-2-yl]acetamide
CID 70759764
9-(2-Chloro-5-fluorobenzyl)-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70774700
9-(2-Chloro-5-fluorobenzoyl)-2-isopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72857221
1-(4-chlorobenzyl)-N-(2-hydroxyethyl)-6-oxo-N-propyl-3-piperidinecarboxamide
CID 72915657
Sdccgsbi-0114829.P001
CID 25383239
N-benzyl-1-(4-chlorobenzyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 4272135

Frequently Asked Questions

What is the IUPAC name of 9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70765699) is 9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3ccc(F)cc3Cl)CC2)CN1CCO.
What is the InChIKey of 9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WHMIETPCECKPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O2/c19-16-11-15(20)2-1-14(16)12-21-7-5-18(6-8-21)4-3-17(24)22(13-18)9-10-23/h1-2,11,23H,3-10,12-13H2.
What are the key properties of 9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 354.85 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70765699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).