N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide

C16H20FNO3 — CID 16823598

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide
SMILESO=C(NCC1COC2(CCCCC2)O1)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c17-14-7-3-2-6-13(14)15(19)18-10-12-11-20-16(21-12)8-4-1-5-9-16/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,19)
InChIKeyBSKAESQSMQMFNI-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.63
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide (PubChem CID 16823598) 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)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide
PubChem CID16823598
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide
SMILESO=C(NCC1COC2(CCCCC2)O1)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c17-14-7-3-2-6-13(14)15(19)18-10-12-11-20-16(21-12)8-4-1-5-9-16/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,19)
InChIKeyBSKAESQSMQMFNI-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

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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)-2-fluorobenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide (CID 16823598) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide is O=C(NCC1COC2(CCCCC2)O1)c1ccccc1F.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide?
The InChIKey is BSKAESQSMQMFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-14-7-3-2-6-13(14)15(19)18-10-12-11-20-16(21-12)8-4-1-5-9-16/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,19).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-fluorobenzamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-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)-2-fluorobenzamide is sourced from PubChem (CID 16823598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).