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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Related Compounds

(1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
CID 104877438
(1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 78939877
2-(3-carbamoylmorpholin-4-yl)-3-fluorobenzoic acid
CID 83095800
1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide
CID 78939276
methyl 4-(2-carbamothioyl-3-fluorophenyl)morpholine-3-carboxylate
CID 104774658
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
(1R)-1-[2-(2,5-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55185193
4-[5-(1-hydroxyethyl)-2-pyridinyl]morpholine-3-carboxamide
CID 83095626
4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
CID 83096321
1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 60974750
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727

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).