4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide

C13H17FN2O3 — CID 83095812

IUPAC4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide
SMILESC[C@@H](O)c1c(F)cccc1N1CCOCC1C(N)=O
InChIInChI=1S/C13H17FN2O3/c1-8(17)12-9(14)3-2-4-10(12)16-5-6-19-7-11(16)13(15)18/h2-4,8,11,17H,5-7H2,1H3,(H2,15,18)/t8-,11?/m1/s1
InChIKeySDZCCVNGIDXQHJ-RZZZFEHKSA-N
MW268.29 g/mol
LogP0.57
Rot. Bonds3

About 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide

4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide (PubChem CID 83095812) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide
PubChem CID83095812
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide
SMILESC[C@@H](O)c1c(F)cccc1N1CCOCC1C(N)=O
InChIInChI=1S/C13H17FN2O3/c1-8(17)12-9(14)3-2-4-10(12)16-5-6-19-7-11(16)13(15)18/h2-4,8,11,17H,5-7H2,1H3,(H2,15,18)/t8-,11?/m1/s1
InChIKeySDZCCVNGIDXQHJ-RZZZFEHKSA-N
XLogP0.57
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide (CID 83095812) is 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide is C[C@@H](O)c1c(F)cccc1N1CCOCC1C(N)=O.
What is the InChIKey of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide?
The InChIKey is SDZCCVNGIDXQHJ-RZZZFEHKSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8(17)12-9(14)3-2-4-10(12)16-5-6-19-7-11(16)13(15)18/h2-4,8,11,17H,5-7H2,1H3,(H2,15,18)/t8-,11?/m1/s1.
What are the key properties of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide?
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).