(6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

C17H20ClFN2O3 — CID 163305810

IUPAC(6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(Cc1c(F)cccc1Cl)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C17H20ClFN2O3/c18-12-3-1-4-13(19)11(12)9-15(23)21-8-5-14(22)17(10-21)6-2-7-20-16(17)24/h1,3-4,14,22H,2,5-10H2,(H,20,24)/t14-,17-/m1/s1
InChIKeyHMAQHHULEGLQGJ-RHSMWYFYSA-N
MW354.81 g/mol
LogP1.51
Rot. Bonds2

About (6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

(6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 163305810) has the molecular formula C17H20ClFN2O3 and a molecular weight of 354.81 g/mol. Its IUPAC name is (6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID163305810
Molecular FormulaC17H20ClFN2O3
Molecular Weight354.81 g/mol
Exact Mass354.11
IUPAC Name(6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(Cc1c(F)cccc1Cl)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C17H20ClFN2O3/c18-12-3-1-4-13(19)11(12)9-15(23)21-8-5-14(22)17(10-21)6-2-7-20-16(17)24/h1,3-4,14,22H,2,5-10H2,(H,20,24)/t14-,17-/m1/s1
InChIKeyHMAQHHULEGLQGJ-RHSMWYFYSA-N
XLogP1.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 163314517
1-(4-aminopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 119376793
(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164693349
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CID 72884255
2-(2-chloro-6-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97197491
(6R,11S)-11-hydroxy-8-[2-(2-phenylmethoxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 165419324
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 51680982
4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362537
3-amino-1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107322940
2-(2-chloro-6-fluorophenyl)-1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of (6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (CID 163305810) is (6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is HMAQHHULEGLQGJ-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H20ClFN2O3/c18-12-3-1-4-13(19)11(12)9-15(23)21-8-5-14(22)17(10-21)6-2-7-20-16(17)24/h1,3-4,14,22H,2,5-10H2,(H,20,24)/t14-,17-/m1/s1.
What are the key properties of (6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 354.81 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 163305810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).