(2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide

C19H20F2N2O3 — CID 120935119

IUPAC(2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1
InChIInChI=1S/C19H20F2N2O3/c1-12-18(22-8-9-25-12)19(24)23-11-13-6-7-17(15(21)10-13)26-16-5-3-2-4-14(16)20/h2-7,10,12,18,22H,8-9,11H2,1H3,(H,23,24)/t12-,18+/m1/s1
InChIKeyPWOUFTHIVWUBSJ-XIKOKIGWSA-N
MW362.38 g/mol
LogP2.75
Rot. Bonds5

About (2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120935119) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is (2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120935119
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name(2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1
InChIInChI=1S/C19H20F2N2O3/c1-12-18(22-8-9-25-12)19(24)23-11-13-6-7-17(15(21)10-13)26-16-5-3-2-4-14(16)20/h2-7,10,12,18,22H,8-9,11H2,1H3,(H,23,24)/t12-,18+/m1/s1
InChIKeyPWOUFTHIVWUBSJ-XIKOKIGWSA-N
XLogP2.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931537
(2R,3S)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931152
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120919539
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920803
(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120919660
(2R,3S)-N-[2-(2-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120919267
(2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922648
(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-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide (CID 120935119) is (2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1.
What is the InChIKey of (2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is PWOUFTHIVWUBSJ-XIKOKIGWSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-12-18(22-8-9-25-12)19(24)23-11-13-6-7-17(15(21)10-13)26-16-5-3-2-4-14(16)20/h2-7,10,12,18,22H,8-9,11H2,1H3,(H,23,24)/t12-,18+/m1/s1.
What are the key properties of (2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120935119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).