2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide

C22H21F2N3O3 — CID 91495283

IUPAC2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide
SMILESCOc1ccc(C2=NC3(CCCC3)N(C(C(N)=O)c3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/C22H21F2N3O3/c1-30-17-6-4-13(5-7-17)18-21(29)27(22(26-18)8-2-3-9-22)19(20(25)28)14-10-15(23)12-16(24)11-14/h4-7,10-12,19H,2-3,8-9H2,1H3,(H2,25,28)
InChIKeyFVTKMDXJFRRFOX-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.10
Rot. Bonds5

About 2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide

2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide (PubChem CID 91495283) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide
PubChem CID91495283
Molecular FormulaC22H21F2N3O3
Molecular Weight413.42 g/mol
Exact Mass413.16
IUPAC Name2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide
SMILESCOc1ccc(C2=NC3(CCCC3)N(C(C(N)=O)c3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/C22H21F2N3O3/c1-30-17-6-4-13(5-7-17)18-21(29)27(22(26-18)8-2-3-9-22)19(20(25)28)14-10-15(23)12-16(24)11-14/h4-7,10-12,19H,2-3,8-9H2,1H3,(H2,25,28)
InChIKeyFVTKMDXJFRRFOX-UHFFFAOYSA-N
XLogP3.10
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide (CID 91495283) is 2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide is COc1ccc(C2=NC3(CCCC3)N(C(C(N)=O)c3cc(F)cc(F)c3)C2=O)cc1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide?
The InChIKey is FVTKMDXJFRRFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3/c1-30-17-6-4-13(5-7-17)18-21(29)27(22(26-18)8-2-3-9-22)19(20(25)28)14-10-15(23)12-16(24)11-14/h4-7,10-12,19H,2-3,8-9H2,1H3,(H2,25,28).
What are the key properties of 2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide?
2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide has a molecular weight of 413.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide is sourced from PubChem (CID 91495283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).