8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C23H22F2N2O3 — CID 20906649

IUPAC8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(F)cc2F)C2(CCN(Cc3ccccc3)CC2)OC1=O
InChIInChI=1S/C23H22F2N2O3/c1-15-20(21(28)26-19-8-7-17(24)13-18(19)25)23(30-22(15)29)9-11-27(12-10-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,26,28)
InChIKeyQPHBXZKPDQOIDP-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.81
Rot. Bonds4

About 8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906649) has the molecular formula C23H22F2N2O3 and a molecular weight of 412.44 g/mol. Its IUPAC name is 8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906649
Molecular FormulaC23H22F2N2O3
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(F)cc2F)C2(CCN(Cc3ccccc3)CC2)OC1=O
InChIInChI=1S/C23H22F2N2O3/c1-15-20(21(28)26-19-8-7-17(24)13-18(19)25)23(30-22(15)29)9-11-27(12-10-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,26,28)
InChIKeyQPHBXZKPDQOIDP-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906649) is 8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)Nc2ccc(F)cc2F)C2(CCN(Cc3ccccc3)CC2)OC1=O.
What is the InChIKey of 8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is QPHBXZKPDQOIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3/c1-15-20(21(28)26-19-8-7-17(24)13-18(19)25)23(30-22(15)29)9-11-27(12-10-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,26,28).
What are the key properties of 8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-(2,4-difluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).