2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

C23H23F2N3O3 — CID 91555809

IUPAC2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESNC(=O)C(c1cc(F)cc(F)c1)N1C(=O)C(c2ccc(CO)cc2)=NC12CCCCC2
InChIInChI=1S/C23H23F2N3O3/c24-17-10-16(11-18(25)12-17)20(21(26)30)28-22(31)19(15-6-4-14(13-29)5-7-15)27-23(28)8-2-1-3-9-23/h4-7,10-12,20,29H,1-3,8-9,13H2,(H2,26,30)
InChIKeyXQNCZVLMVUWVQJ-UHFFFAOYSA-N
MW427.45 g/mol
LogP2.98
Rot. Bonds5

About 2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 91555809) has the molecular formula C23H23F2N3O3 and a molecular weight of 427.45 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID91555809
Molecular FormulaC23H23F2N3O3
Molecular Weight427.45 g/mol
Exact Mass427.17
IUPAC Name2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESNC(=O)C(c1cc(F)cc(F)c1)N1C(=O)C(c2ccc(CO)cc2)=NC12CCCCC2
InChIInChI=1S/C23H23F2N3O3/c24-17-10-16(11-18(25)12-17)20(21(26)30)28-22(31)19(15-6-4-14(13-29)5-7-15)27-23(28)8-2-1-3-9-23/h4-7,10-12,20,29H,1-3,8-9,13H2,(H2,26,30)
InChIKeyXQNCZVLMVUWVQJ-UHFFFAOYSA-N
XLogP2.98
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 91555809) is 2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is NC(=O)C(c1cc(F)cc(F)c1)N1C(=O)C(c2ccc(CO)cc2)=NC12CCCCC2.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is XQNCZVLMVUWVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3/c24-17-10-16(11-18(25)12-17)20(21(26)30)28-22(31)19(15-6-4-14(13-29)5-7-15)27-23(28)8-2-1-3-9-23/h4-7,10-12,20,29H,1-3,8-9,13H2,(H2,26,30).
What are the key properties of 2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 427.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-[2-[4-(hydroxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 91555809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).