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

C19H26ClFN2O2 — CID 70774700

IUPAC9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1Cl)CC2
InChIInChI=1S/C19H26ClFN2O2/c1-14(24)11-23-13-19(5-4-18(23)25)6-8-22(9-7-19)12-15-10-16(21)2-3-17(15)20/h2-3,10,14,24H,4-9,11-13H2,1H3
InChIKeyUOGQGLQQLLFFQV-UHFFFAOYSA-N
MW368.88 g/mol
LogP3.06
Rot. Bonds4

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

9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70774700) 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-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70774700
Molecular FormulaC19H26ClFN2O2
Molecular Weight368.88 g/mol
Exact Mass368.17
IUPAC Name9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1Cl)CC2
InChIInChI=1S/C19H26ClFN2O2/c1-14(24)11-23-13-19(5-4-18(23)25)6-8-22(9-7-19)12-15-10-16(21)2-3-17(15)20/h2-3,10,14,24H,4-9,11-13H2,1H3
InChIKeyUOGQGLQQLLFFQV-UHFFFAOYSA-N
XLogP3.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.88
LogP ≤ 53.06
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-(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-4-fluorobenzyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765699
9-(2-Chloro-5-fluorobenzoyl)-2-isopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72857221
2-[(2-Chloro-6-fluoro-phenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
CID 54707915
1-{4-[(2-Chloro-4-fluorophenyl)methyl]piperazinyl}-3,3-dimethylbutan-1-one
CID 17249538
3-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 25452453
2-(2-Chloro-6-fluorobenzyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45194316

Frequently Asked Questions

What is the IUPAC name of 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70774700) is 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is CC(O)CN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1Cl)CC2.
What is the InChIKey of 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UOGQGLQQLLFFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O2/c1-14(24)11-23-13-19(5-4-18(23)25)6-8-22(9-7-19)12-15-10-16(21)2-3-17(15)20/h2-3,10,14,24H,4-9,11-13H2,1H3.
What are the key properties of 9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2-chloro-5-fluorophenyl)methyl]-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 368.88 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 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-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70774700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).