N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide

C16H20FNO3 — CID 48527980

IUPACN-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CCCC1)C1COCCO1
InChIInChI=1S/C16H20FNO3/c17-13-5-3-12(4-6-13)16(7-1-2-8-16)18-15(19)14-11-20-9-10-21-14/h3-6,14H,1-2,7-11H2,(H,18,19)
InChIKeyNFFKFBYYSRMRDC-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.13
Rot. Bonds3

About N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide

N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide (PubChem CID 48527980) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide
PubChem CID48527980
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC NameN-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CCCC1)C1COCCO1
InChIInChI=1S/C16H20FNO3/c17-13-5-3-12(4-6-13)16(7-1-2-8-16)18-15(19)14-11-20-9-10-21-14/h3-6,14H,1-2,7-11H2,(H,18,19)
InChIKeyNFFKFBYYSRMRDC-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide (CID 48527980) is N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide is O=C(NC1(c2ccc(F)cc2)CCCC1)C1COCCO1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide?
The InChIKey is NFFKFBYYSRMRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-13-5-3-12(4-6-13)16(7-1-2-8-16)18-15(19)14-11-20-9-10-21-14/h3-6,14H,1-2,7-11H2,(H,18,19).
What are the key properties of N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide?
N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 48527980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).