N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide

C16H19F2NO3 — CID 127266803

IUPACN-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NC1(c2c(F)cccc2F)CCCC1)C1COCCO1
InChIInChI=1S/C16H19F2NO3/c17-11-4-3-5-12(18)14(11)16(6-1-2-7-16)19-15(20)13-10-21-8-9-22-13/h3-5,13H,1-2,6-10H2,(H,19,20)
InChIKeyOMLRMGHAZXHCKF-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.27
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide

N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide (PubChem CID 127266803) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide
PubChem CID127266803
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC NameN-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NC1(c2c(F)cccc2F)CCCC1)C1COCCO1
InChIInChI=1S/C16H19F2NO3/c17-11-4-3-5-12(18)14(11)16(6-1-2-7-16)19-15(20)13-10-21-8-9-22-13/h3-5,13H,1-2,6-10H2,(H,19,20)
InChIKeyOMLRMGHAZXHCKF-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide (CID 127266803) is N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide is O=C(NC1(c2c(F)cccc2F)CCCC1)C1COCCO1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide?
The InChIKey is OMLRMGHAZXHCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c17-11-4-3-5-12(18)14(11)16(6-1-2-7-16)19-15(20)13-10-21-8-9-22-13/h3-5,13H,1-2,6-10H2,(H,19,20).
What are the key properties of N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide?
N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide has a molecular weight of 311.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 127266803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).