N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide

C16H18F2N2O4 — CID 108950105

IUPACN-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
SMILESO=C(CC(=O)N1CCC2(CC1)OCCO2)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H18F2N2O4/c17-12-2-1-11(9-13(12)18)19-14(21)10-15(22)20-5-3-16(4-6-20)23-7-8-24-16/h1-2,9H,3-8,10H2,(H,19,21)
InChIKeyQFPZEMGLKDVVST-UHFFFAOYSA-N
MW340.33 g/mol
LogP1.66
Rot. Bonds3

About N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide

N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide (PubChem CID 108950105) has the molecular formula C16H18F2N2O4 and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
PubChem CID108950105
Molecular FormulaC16H18F2N2O4
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC NameN-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
SMILESO=C(CC(=O)N1CCC2(CC1)OCCO2)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H18F2N2O4/c17-12-2-1-11(9-13(12)18)19-14(21)10-15(22)20-5-3-16(4-6-20)23-7-8-24-16/h1-2,9H,3-8,10H2,(H,19,21)
InChIKeyQFPZEMGLKDVVST-UHFFFAOYSA-N
XLogP1.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950080
N-(2,6-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950104
N-(3-bromophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950076
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 43057701
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(2-bromophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950075
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)-3-oxopropanamide
CID 108944949
N-(3,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950492
N-(3,4-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123570
[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109310067
N-(3,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
CID 4115341
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide (CID 108950105) is N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide is O=C(CC(=O)N1CCC2(CC1)OCCO2)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide?
The InChIKey is QFPZEMGLKDVVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4/c17-12-2-1-11(9-13(12)18)19-14(21)10-15(22)20-5-3-16(4-6-20)23-7-8-24-16/h1-2,9H,3-8,10H2,(H,19,21).
What are the key properties of N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide?
N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide has a molecular weight of 340.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide is sourced from PubChem (CID 108950105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).