8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C20H23F2N3O4 — CID 91154806

IUPAC8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCC1CCCO1)C1=CC2(CCN(C(=O)c3ccc(F)cc3F)CC2)ON1
InChIInChI=1S/C20H23F2N3O4/c21-13-3-4-15(16(22)10-13)19(27)25-7-5-20(6-8-25)11-17(24-29-20)18(26)23-12-14-2-1-9-28-14/h3-4,10-11,14,24H,1-2,5-9,12H2,(H,23,26)
InChIKeyYVVHAGUXOGOLHM-UHFFFAOYSA-N
MW407.42 g/mol
LogP1.65
Rot. Bonds4

About 8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91154806) has the molecular formula C20H23F2N3O4 and a molecular weight of 407.42 g/mol. Its IUPAC name is 8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound Name8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91154806
Molecular FormulaC20H23F2N3O4
Molecular Weight407.42 g/mol
Exact Mass407.17
IUPAC Name8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCC1CCCO1)C1=CC2(CCN(C(=O)c3ccc(F)cc3F)CC2)ON1
InChIInChI=1S/C20H23F2N3O4/c21-13-3-4-15(16(22)10-13)19(27)25-7-5-20(6-8-25)11-17(24-29-20)18(26)23-12-14-2-1-9-28-14/h3-4,10-11,14,24H,1-2,5-9,12H2,(H,23,26)
InChIKeyYVVHAGUXOGOLHM-UHFFFAOYSA-N
XLogP1.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
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CID 6916239
N-(2-Phenyl-1-((tetrahydro-furan-2-ylmethyl)-carbamoyl)-vinyl)-benzamide
CID 5755105
N-((E)-2-(2-fluorophenyl)-1-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}ethenyl)benzamide
CID 5755085
(2Z)-3-(2-Fluorophenyl)-N-[(oxolan-2-YL)methyl]-2-(phenylformamido)prop-2-enamide
CID 16428389
4-Benzoyl-8-(2-fluorobenzoyl)-N-[(oxolan-2-YL)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 45983765
8-(2,2-dimethylpropanoyl)-4-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955950
4-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956692
2-cyclopentyl-N-{[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 45168521
US12459899, Example 192
CID 156332885
1-[(2-fluorophenyl)carbonyl]-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 17019005
1-[(3-fluorophenyl)carbonyl]-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 17223567

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of 8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91154806) is 8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for 8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for 8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCC1CCCO1)C1=CC2(CCN(C(=O)c3ccc(F)cc3F)CC2)ON1.
What is the InChIKey of 8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is YVVHAGUXOGOLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4/c21-13-3-4-15(16(22)10-13)19(27)25-7-5-20(6-8-25)11-17(24-29-20)18(26)23-12-14-2-1-9-28-14/h3-4,10-11,14,24H,1-2,5-9,12H2,(H,23,26).
What are the key properties of 8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91154806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).