N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide

C16H20FNO3 — CID 18583795

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide
SMILESO=C(NCC1COC2(CCCCC2)O1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c17-13-6-4-12(5-7-13)15(19)18-10-14-11-20-16(21-14)8-2-1-3-9-16/h4-7,14H,1-3,8-11H2,(H,18,19)
InChIKeyMWSVUWOGPPITDI-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.63
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide (PubChem CID 18583795) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide
PubChem CID18583795
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide
SMILESO=C(NCC1COC2(CCCCC2)O1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c17-13-6-4-12(5-7-13)15(19)18-10-14-11-20-16(21-14)8-2-1-3-9-16/h4-7,14H,1-3,8-11H2,(H,18,19)
InChIKeyMWSVUWOGPPITDI-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzamide, N-tetrahydrofurfuryl-3-fluoro-
CID 532005
1,4-Dioxa-8-azaspiro[4.5]dec-8-yl(2-fluorophenyl)methanone
CID 1991451
8-(4-Fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2241021
Cyclohexyl (benzoylamino)acetate
CID 672410
N-(2-(2-(2-(Benzoylamino)ethoxy)ethoxy)ethyl)benzamide
CID 3369375
N-(oxolan-2-ylmethyl)benzamide
CID 2842558
Benzamide, N-tetrahydrofurfuryl-4-fluoro-
CID 531952
Benzamide, N-tetrahydrofurfuryl-4-methyl-
CID 531825
N-[2-(4,4-diethyl-5-oxooxolan-2-yl)ethyl]benzamide
CID 76326633
Benzamide, N-tetrahydrofurfuryl-2-fluoro-
CID 531932
(3,4-difluorophenyl)-N-(oxolan-2-ylmethyl)carboxamide
CID 3153082
(2-Oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate
CID 4536636

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide (CID 18583795) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide is O=C(NCC1COC2(CCCCC2)O1)c1ccc(F)cc1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide?
The InChIKey is MWSVUWOGPPITDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-13-6-4-12(5-7-13)15(19)18-10-14-11-20-16(21-14)8-2-1-3-9-16/h4-7,14H,1-3,8-11H2,(H,18,19).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide has a molecular weight of 293.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-fluorobenzamide is sourced from PubChem (CID 18583795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).