(2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride

C13H18BrClN2O2 — CID 120918516

IUPAC(2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C13H17BrN2O2.ClH/c1-8-7-10(14)3-4-11(8)16-13(17)12-9(2)18-6-5-15-12;/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,16,17);1H/t9-,12+;/m1./s1
InChIKeyAUCYQPLSKCQKAB-KATIXKQHSA-N
MW349.66 g/mol
LogP2.49
Rot. Bonds2

About (2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120918516) has the molecular formula C13H18BrClN2O2 and a molecular weight of 349.66 g/mol. Its IUPAC name is (2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120918516
Molecular FormulaC13H18BrClN2O2
Molecular Weight349.66 g/mol
Exact Mass348.02
IUPAC Name(2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C13H17BrN2O2.ClH/c1-8-7-10(14)3-4-11(8)16-13(17)12-9(2)18-6-5-15-12;/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,16,17);1H/t9-,12+;/m1./s1
InChIKeyAUCYQPLSKCQKAB-KATIXKQHSA-N
XLogP2.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928973
(2R,3S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926240
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928221
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922520
(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120928774
(2R,3S)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylmorpholine-3-carboxamide
CID 120920403
(2R,3S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120918025
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120918516) is (2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride is Cc1cc(Br)ccc1NC(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of (2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is AUCYQPLSKCQKAB-KATIXKQHSA-N. The full InChI is InChI=1S/C13H17BrN2O2.ClH/c1-8-7-10(14)3-4-11(8)16-13(17)12-9(2)18-6-5-15-12;/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,16,17);1H/t9-,12+;/m1./s1.
What are the key properties of (2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 349.66 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120918516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).