(2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride

C15H22ClFN2O3 — CID 120920100

IUPAC(2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CCOc1ccc(F)cc1.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-11-14(17-7-9-20-11)15(19)18(2)8-10-21-13-5-3-12(16)4-6-13;/h3-6,11,14,17H,7-10H2,1-2H3;1H/t11-,14+;/m1./s1
InChIKeyGNMPHFLPOOSYSE-GGMFNZDASA-N
MW332.80 g/mol
LogP1.46
Rot. Bonds5

About (2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120920100) has the molecular formula C15H22ClFN2O3 and a molecular weight of 332.80 g/mol. Its IUPAC name is (2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
PubChem CID120920100
Molecular FormulaC15H22ClFN2O3
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name(2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CCOc1ccc(F)cc1.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-11-14(17-7-9-20-11)15(19)18(2)8-10-21-13-5-3-12(16)4-6-13;/h3-6,11,14,17H,7-10H2,1-2H3;1H/t11-,14+;/m1./s1
InChIKeyGNMPHFLPOOSYSE-GGMFNZDASA-N
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120920116
(2R,3S)-N,2-dimethyl-N-(2-phenoxyethyl)morpholine-3-carboxamide;hydrochloride
CID 120918304
(2R,3S)-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920159
(2R,3S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920151
N-[2-(4-fluorophenoxy)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119695324
(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918260
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
(2R,3S)-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120921210
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
(2R,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120919622
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride (CID 120920100) is (2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N(C)CCOc1ccc(F)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is GNMPHFLPOOSYSE-GGMFNZDASA-N. The full InChI is InChI=1S/C15H21FN2O3.ClH/c1-11-14(17-7-9-20-11)15(19)18(2)8-10-21-13-5-3-12(16)4-6-13;/h3-6,11,14,17H,7-10H2,1-2H3;1H/t11-,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120920100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).