(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide

C14H18FNO4 — CID 94198152

IUPAC(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide
SMILESC[C@@H](COc1ccccc1F)NC(=O)[C@H]1COCCO1
InChIInChI=1S/C14H18FNO4/c1-10(8-20-12-5-3-2-4-11(12)15)16-14(17)13-9-18-6-7-19-13/h2-5,10,13H,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyAUCVAOGCLBZCTQ-GXFFZTMASA-N
MW283.30 g/mol
LogP1.12
Rot. Bonds5

About (2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide

(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide (PubChem CID 94198152) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide
PubChem CID94198152
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide
SMILESC[C@@H](COc1ccccc1F)NC(=O)[C@H]1COCCO1
InChIInChI=1S/C14H18FNO4/c1-10(8-20-12-5-3-2-4-11(12)15)16-14(17)13-9-18-6-7-19-13/h2-5,10,13H,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyAUCVAOGCLBZCTQ-GXFFZTMASA-N
XLogP1.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide (CID 94198152) is (2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide is C[C@@H](COc1ccccc1F)NC(=O)[C@H]1COCCO1.
What is the InChIKey of (2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide?
The InChIKey is AUCVAOGCLBZCTQ-GXFFZTMASA-N. The full InChI is InChI=1S/C14H18FNO4/c1-10(8-20-12-5-3-2-4-11(12)15)16-14(17)13-9-18-6-7-19-13/h2-5,10,13H,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide?
(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 94198152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).