N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide

C16H20FNO3 — CID 112528295

IUPACN-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20FNO3/c17-14-3-1-2-12(10-14)11-18-15(19)13-4-6-16(7-5-13)20-8-9-21-16/h1-3,10,13H,4-9,11H2,(H,18,19)
InChIKeyUFDMSFGNWBPQHU-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.38
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide

N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 112528295) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID112528295
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC NameN-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20FNO3/c17-14-3-1-2-12(10-14)11-18-15(19)13-4-6-16(7-5-13)20-8-9-21-16/h1-3,10,13H,4-9,11H2,(H,18,19)
InChIKeyUFDMSFGNWBPQHU-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 112528295) is N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide is O=C(NCc1cccc(F)c1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is UFDMSFGNWBPQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-14-3-1-2-12(10-14)11-18-15(19)13-4-6-16(7-5-13)20-8-9-21-16/h1-3,10,13H,4-9,11H2,(H,18,19).
What are the key properties of N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 112528295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).