3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide

C17H21FN2O3 — CID 75519811

IUPAC3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCOCC12CCCC2)c1cccc(F)c1
InChIInChI=1S/C17H21FN2O3/c18-14-5-3-4-13(10-14)16(22)19-11-15(21)20-8-9-23-12-17(20)6-1-2-7-17/h3-5,10H,1-2,6-9,11-12H2,(H,19,22)
InChIKeySAJWPUZJFLTIQA-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.73
Rot. Bonds3

About 3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide

3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide (PubChem CID 75519811) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide
PubChem CID75519811
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCOCC12CCCC2)c1cccc(F)c1
InChIInChI=1S/C17H21FN2O3/c18-14-5-3-4-13(10-14)16(22)19-11-15(21)20-8-9-23-12-17(20)6-1-2-7-17/h3-5,10H,1-2,6-9,11-12H2,(H,19,22)
InChIKeySAJWPUZJFLTIQA-UHFFFAOYSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 86797000
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717
3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
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3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
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(2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate
CID 2548453
3-fluoro-1-[2-[(3-fluorobenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120529785
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120545034
2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
CID 75518815
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
3-fluoro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 66261045
1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid
CID 120515000

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide (CID 75519811) is 3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCOCC12CCCC2)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide?
The InChIKey is SAJWPUZJFLTIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-14-5-3-4-13(10-14)16(22)19-11-15(21)20-8-9-23-12-17(20)6-1-2-7-17/h3-5,10H,1-2,6-9,11-12H2,(H,19,22).
What are the key properties of 3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide?
3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide has a molecular weight of 320.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 75519811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).