N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide

C18H24F2N2O3 — CID 20527635

IUPACN-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(F)c(F)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H24F2N2O3/c1-22(2)17(5-7-18(8-6-17)24-9-10-25-18)12-21-16(23)13-3-4-14(19)15(20)11-13/h3-4,11H,5-10,12H2,1-2H3,(H,21,23)
InChIKeyMUQQJXKYWSFGCN-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.31
Rot. Bonds4

About N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide

N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide (PubChem CID 20527635) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide
PubChem CID20527635
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC NameN-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(F)c(F)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H24F2N2O3/c1-22(2)17(5-7-18(8-6-17)24-9-10-25-18)12-21-16(23)13-3-4-14(19)15(20)11-13/h3-4,11H,5-10,12H2,1-2H3,(H,21,23)
InChIKeyMUQQJXKYWSFGCN-UHFFFAOYSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-3,4-difluorobenzamide
CID 18583794
N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 47023689
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-2-fluorobenzamide
CID 16823598
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-3-fluorobenzamide
CID 18583793
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-4-fluorobenzamide
CID 18583795
alpha,alpha,alpha-trifluoro-N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]dec-8-yl]methyl]-p-toluamide
CID 13052044
N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 20330269
N-[(8-pyrrolidin-1-yl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 20330299
N-[[8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-2-(3,4-difluorophenyl)acetamide
CID 20330302
4-fluoro-N-methyl-N-(7-pyrrolidin-1-yl-1,4-dioxaspiro[4.6]undecan-8-yl)benzamide
CID 20517827
N-[[8-(diethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide
CID 20527619
N-[[9-[di(propan-2-yl)amino]-1,4-dioxaspiro[5.5]undecan-9-yl]methyl]-4-(trifluoromethyl)benzamide
CID 20527626

Frequently Asked Questions

What is the IUPAC name of N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide (CID 20527635) is N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide is CN(C)C1(CNC(=O)c2ccc(F)c(F)c2)CCC2(CC1)OCCO2.
What is the InChIKey of N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide?
The InChIKey is MUQQJXKYWSFGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c1-22(2)17(5-7-18(8-6-17)24-9-10-25-18)12-21-16(23)13-3-4-14(19)15(20)11-13/h3-4,11H,5-10,12H2,1-2H3,(H,21,23).
What are the key properties of N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide?
N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide has a molecular weight of 354.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 20527635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).