3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide

C15H17ClFNO3 — CID 81422797

IUPAC3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H17ClFNO3/c16-12-9-10(1-2-13(12)17)14(19)18-11-3-5-15(6-4-11)20-7-8-21-15/h1-2,9,11H,3-8H2,(H,18,19)
InChIKeyNIKJFMYHRSZKIS-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.89
Rot. Bonds2

About 3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide

3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide (PubChem CID 81422797) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is 3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide
PubChem CID81422797
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Name3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H17ClFNO3/c16-12-9-10(1-2-13(12)17)14(19)18-11-3-5-15(6-4-11)20-7-8-21-15/h1-2,9,11H,3-8H2,(H,18,19)
InChIKeyNIKJFMYHRSZKIS-UHFFFAOYSA-N
XLogP2.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-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

4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide
CID 71936290
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
CID 112729579
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide
CID 104916913
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
CID 112729639
N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 104626056
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 47249822
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide
CID 71124975

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide (CID 81422797) is 3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide is O=C(NC1CCC2(CC1)OCCO2)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide?
The InChIKey is NIKJFMYHRSZKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c16-12-9-10(1-2-13(12)17)14(19)18-11-3-5-15(6-4-11)20-7-8-21-15/h1-2,9,11H,3-8H2,(H,18,19).
What are the key properties of 3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide?
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide has a molecular weight of 313.76 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide is sourced from PubChem (CID 81422797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).