(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide

C13H16BrClN2O2 — CID 128983412

IUPAC(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(Cc2ccc(Cl)cc2Br)[C@@H]1C(N)=O
InChIInChI=1S/C13H16BrClN2O2/c1-8-12(13(16)18)17(4-5-19-8)7-9-2-3-10(15)6-11(9)14/h2-3,6,8,12H,4-5,7H2,1H3,(H2,16,18)/t8-,12+/m1/s1
InChIKeyBAYVQFGZYCLGJD-PELKAZGASA-N
MW347.64 g/mol
LogP2.18
Rot. Bonds3

About (2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 128983412) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is (2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
PubChem CID128983412
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(Cc2ccc(Cl)cc2Br)[C@@H]1C(N)=O
InChIInChI=1S/C13H16BrClN2O2/c1-8-12(13(16)18)17(4-5-19-8)7-9-2-3-10(15)6-11(9)14/h2-3,6,8,12H,4-5,7H2,1H3,(H2,16,18)/t8-,12+/m1/s1
InChIKeyBAYVQFGZYCLGJD-PELKAZGASA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-4-[(4-bromo-2-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983411
(2R,3S)-2-methyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholine-3-carboxamide
CID 128987044
(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide
CID 126987751
(2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128987013
(2R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 119914283
(2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977144
(2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983267
(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983261
1-[(2-bromo-4-chlorophenyl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83079591
(2R,3S)-4-[2-(3-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 128987031
(2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide
CID 128986958
(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide
CID 128986897

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide (CID 128983412) is (2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN(Cc2ccc(Cl)cc2Br)[C@@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is BAYVQFGZYCLGJD-PELKAZGASA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-8-12(13(16)18)17(4-5-19-8)7-9-2-3-10(15)6-11(9)14/h2-3,6,8,12H,4-5,7H2,1H3,(H2,16,18)/t8-,12+/m1/s1.
What are the key properties of (2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 347.64 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 128983412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).