(2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C14H20BrClN2O3 — CID 120926162

IUPAC(2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(Br)c(CNC(=O)[C@H]2NCCO[C@@H]2C)c1.Cl
InChIInChI=1S/C14H19BrN2O3.ClH/c1-9-13(16-5-6-20-9)14(18)17-8-10-7-11(19-2)3-4-12(10)15;/h3-4,7,9,13,16H,5-6,8H2,1-2H3,(H,17,18);1H/t9-,13+;/m1./s1
InChIKeyWJDGCWOWFCVWFD-XVUIFDSFSA-N
MW379.68 g/mol
LogP1.87
Rot. Bonds4

About (2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120926162) has the molecular formula C14H20BrClN2O3 and a molecular weight of 379.68 g/mol. Its IUPAC name is (2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120926162
Molecular FormulaC14H20BrClN2O3
Molecular Weight379.68 g/mol
Exact Mass378.03
IUPAC Name(2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(Br)c(CNC(=O)[C@H]2NCCO[C@@H]2C)c1.Cl
InChIInChI=1S/C14H19BrN2O3.ClH/c1-9-13(16-5-6-20-9)14(18)17-8-10-7-11(19-2)3-4-12(10)15;/h3-4,7,9,13,16H,5-6,8H2,1-2H3,(H,17,18);1H/t9-,13+;/m1./s1
InChIKeyWJDGCWOWFCVWFD-XVUIFDSFSA-N
XLogP1.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.68
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
(2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120936748
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
(2R,3S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120923637
(2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928973
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132
(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120919660
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927845

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120926162) is (2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is COc1ccc(Br)c(CNC(=O)[C@H]2NCCO[C@@H]2C)c1.Cl.
What is the InChIKey of (2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is WJDGCWOWFCVWFD-XVUIFDSFSA-N. The full InChI is InChI=1S/C14H19BrN2O3.ClH/c1-9-13(16-5-6-20-9)14(18)17-8-10-7-11(19-2)3-4-12(10)15;/h3-4,7,9,13,16H,5-6,8H2,1-2H3,(H,17,18);1H/t9-,13+;/m1./s1.
What are the key properties of (2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 379.68 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120926162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).