3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide

C21H21FN2O4 — CID 109055728

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C21H21FN2O4/c22-17-6-1-2-7-18(17)23-19(25)15-4-3-5-16(14-15)20(26)24-10-8-21(9-11-24)27-12-13-28-21/h1-7,14H,8-13H2,(H,23,25)
InChIKeySWHUHHWPUYZWCL-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.06
Rot. Bonds3

About 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide

3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide (PubChem CID 109055728) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide
PubChem CID109055728
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C21H21FN2O4/c22-17-6-1-2-7-18(17)23-19(25)15-4-3-5-16(14-15)20(26)24-10-8-21(9-11-24)27-12-13-28-21/h1-7,14H,8-13H2,(H,23,25)
InChIKeySWHUHHWPUYZWCL-UHFFFAOYSA-N
XLogP3.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109055730
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261676
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)-2,2-dimethyl-3-oxopropanamide
CID 108965186
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109105514
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193919
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109123532
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109088591
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide (CID 109055728) is 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide is O=C(Nc1ccccc1F)c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide?
The InChIKey is SWHUHHWPUYZWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c22-17-6-1-2-7-18(17)23-19(25)15-4-3-5-16(14-15)20(26)24-10-8-21(9-11-24)27-12-13-28-21/h1-7,14H,8-13H2,(H,23,25).
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide?
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide has a molecular weight of 384.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 109055728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).