(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone

C21H21ClFNO3 — CID 24724477

IUPAC(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C21H21ClFNO3/c22-18-11-17(12-19(23)13-18)20(25)16-3-1-15(2-4-16)14-24-7-5-21(6-8-24)26-9-10-27-21/h1-4,11-13H,5-10,14H2
InChIKeyTYAWBXFKHXUBPN-UHFFFAOYSA-N
MW389.85 g/mol
LogP4.05
Rot. Bonds4

About (3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone

(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone (PubChem CID 24724477) has the molecular formula C21H21ClFNO3 and a molecular weight of 389.85 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
PubChem CID24724477
Molecular FormulaC21H21ClFNO3
Molecular Weight389.85 g/mol
Exact Mass389.12
IUPAC Name(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C21H21ClFNO3/c22-18-11-17(12-19(23)13-18)20(25)16-3-1-15(2-4-16)14-24-7-5-21(6-8-24)26-9-10-27-21/h1-4,11-13H,5-10,14H2
InChIKeyTYAWBXFKHXUBPN-UHFFFAOYSA-N
XLogP4.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone with MolForge

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Related Compounds

(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724704
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 34227959
8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 113345091
(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724818
cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724489
(3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724922
8-[(3-bromo-4-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 60523654
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The IUPAC name of (3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone (CID 24724477) is (3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cc(F)cc(Cl)c1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The InChIKey is TYAWBXFKHXUBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFNO3/c22-18-11-17(12-19(23)13-18)20(25)16-3-1-15(2-4-16)14-24-7-5-21(6-8-24)26-9-10-27-21/h1-4,11-13H,5-10,14H2.
What are the key properties of (3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone has a molecular weight of 389.85 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).