(2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C20H24ClFN2O3 — CID 120922648

IUPAC(2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1.Cl
InChIInChI=1S/C20H23FN2O3.ClH/c1-14-19(22-9-10-25-14)20(24)23-12-15-5-7-18(8-6-15)26-13-16-3-2-4-17(21)11-16;/h2-8,11,14,19,22H,9-10,12-13H2,1H3,(H,23,24);1H/t14-,19+;/m1./s1
InChIKeyBSUFREZSLWDKMR-MQZJHDQISA-N
MW394.87 g/mol
LogP2.82
Rot. Bonds6

About (2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120922648) has the molecular formula C20H24ClFN2O3 and a molecular weight of 394.87 g/mol. Its IUPAC name is (2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120922648
Molecular FormulaC20H24ClFN2O3
Molecular Weight394.87 g/mol
Exact Mass394.15
IUPAC Name(2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1.Cl
InChIInChI=1S/C20H23FN2O3.ClH/c1-14-19(22-9-10-25-14)20(24)23-12-15-5-7-18(8-6-15)26-13-16-3-2-4-17(21)11-16;/h2-8,11,14,19,22H,9-10,12-13H2,1H3,(H,23,24);1H/t14-,19+;/m1./s1
InChIKeyBSUFREZSLWDKMR-MQZJHDQISA-N
XLogP2.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylmorpholine-3-carboxamide
CID 120926492
(2R,3S)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120925527
(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620915
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120919539
(3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide
CID 95146364
(2R,3S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939999
(2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120935119
(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120925797

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120922648) is (2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is BSUFREZSLWDKMR-MQZJHDQISA-N. The full InChI is InChI=1S/C20H23FN2O3.ClH/c1-14-19(22-9-10-25-14)20(24)23-12-15-5-7-18(8-6-15)26-13-16-3-2-4-17(21)11-16;/h2-8,11,14,19,22H,9-10,12-13H2,1H3,(H,23,24);1H/t14-,19+;/m1./s1.
What are the key properties of (2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 394.87 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120922648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).