(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C14H20BrClN2O2 — CID 120928221

IUPAC(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-9(11-3-5-12(15)6-4-11)17-14(18)13-10(2)19-8-7-16-13;/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18);1H/t9?,10-,13+;/m1./s1
InChIKeyHBLIWJADHYQXBY-AFDMHPHJSA-N
MW363.68 g/mol
LogP2.42
Rot. Bonds3

About (2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120928221) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is (2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120928221
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC Name(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-9(11-3-5-12(15)6-4-11)17-14(18)13-10(2)19-8-7-16-13;/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18);1H/t9?,10-,13+;/m1./s1
InChIKeyHBLIWJADHYQXBY-AFDMHPHJSA-N
XLogP2.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120918965
(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120924044
(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
CID 120925805
(2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide
CID 120923306
(2R,3S)-N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120937518
(2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120919058
(2R,3S)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942394
(2R,3S)-N-[2-(4-bromophenyl)sulfanylpropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932287
(2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925471
(2R,3S)-N-[1-(2,4-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918983
(2R,3S)-N-[1-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919673
(2R,3S)-N-[1-(1-benzothiophen-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931572

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120928221) is (2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is CC(NC(=O)[C@H]1NCCO[C@@H]1C)c1ccc(Br)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is HBLIWJADHYQXBY-AFDMHPHJSA-N. The full InChI is InChI=1S/C14H19BrN2O2.ClH/c1-9(11-3-5-12(15)6-4-11)17-14(18)13-10(2)19-8-7-16-13;/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18);1H/t9?,10-,13+;/m1./s1.
What are the key properties of (2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 363.68 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120928221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).