9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one

C19H22ClFN2O2 — CID 72874255

IUPAC9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1cc(F)cc(Cl)c1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C19H22ClFN2O2/c20-14-9-13(10-15(21)11-14)18(25)22-7-5-19(6-8-22)4-3-17(24)23(12-19)16-1-2-16/h9-11,16H,1-8,12H2
InChIKeyGPYFZJSJTQZBCZ-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.49
Rot. Bonds2

About 9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one

9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72874255) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72874255
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1cc(F)cc(Cl)c1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C19H22ClFN2O2/c20-14-9-13(10-15(21)11-14)18(25)22-7-5-19(6-8-22)4-3-17(24)23(12-19)16-1-2-16/h9-11,16H,1-8,12H2
InChIKeyGPYFZJSJTQZBCZ-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72900797
2-cyclopentyl-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72853987
9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97113341
2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70760251
2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97156415
9-[(4R)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148412
9-[(4S)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148411
9-(azepane-4-carbonyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72923495
9-(2H-benzotriazole-5-carbonyl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72903419
2-[(3R)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97155669
(6R)-2-cyclopropyl-N-(2,4-difluorophenyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97122233
8-(3-chloro-5-fluorobenzoyl)-3-[(4-hydroxypiperidin-1-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 175643761

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72874255) is 9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one is O=C(c1cc(F)cc(Cl)c1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1.
What is the InChIKey of 9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GPYFZJSJTQZBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c20-14-9-13(10-15(21)11-14)18(25)22-7-5-19(6-8-22)4-3-17(24)23(12-19)16-1-2-16/h9-11,16H,1-8,12H2.
What are the key properties of 9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.85 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72874255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).