8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H19Cl2FN2O3 — CID 11992888

IUPAC8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CN1Cc1ccccc1F
InChIInChI=1S/C21H19Cl2FN2O3/c22-15-5-3-6-16(23)18(15)19(27)25-10-8-21(9-11-25)13-26(20(28)29-21)12-14-4-1-2-7-17(14)24/h1-7H,8-13H2
InChIKeyHRIFMRHRFBUJRE-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.76
Rot. Bonds3

About 8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 11992888) has the molecular formula C21H19Cl2FN2O3 and a molecular weight of 437.30 g/mol. Its IUPAC name is 8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID11992888
Molecular FormulaC21H19Cl2FN2O3
Molecular Weight437.30 g/mol
Exact Mass436.08
IUPAC Name8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CN1Cc1ccccc1F
InChIInChI=1S/C21H19Cl2FN2O3/c22-15-5-3-6-16(23)18(15)19(27)25-10-8-21(9-11-25)13-26(20(28)29-21)12-14-4-1-2-7-17(14)24/h1-7H,8-13H2
InChIKeyHRIFMRHRFBUJRE-UHFFFAOYSA-N
XLogP4.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[8-(2-chloro-6-fluorobenzoyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile
CID 66901800
3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901933
3-benzyl-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901855
(5S)-3-benzyl-9-[2-(pyrrolidin-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124977860
8-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901837
3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 22248288
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
3-(2-chloro-6-fluorobenzoyl)-11-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 135108909
(5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 129456932
8-[2-(3-chlorophenoxy)acetyl]-3-[(3,4-difluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901759
8-(2-chloropyridine-3-carbonyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 87197721
(5R)-3-[(4-fluorophenyl)methyl]-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129459136

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 11992888) is 8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CN1Cc1ccccc1F.
What is the InChIKey of 8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HRIFMRHRFBUJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2FN2O3/c22-15-5-3-6-16(23)18(15)19(27)25-10-8-21(9-11-25)13-26(20(28)29-21)12-14-4-1-2-7-17(14)24/h1-7H,8-13H2.
What are the key properties of 8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 437.30 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 11992888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).