(2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride

C15H21BrClN3O3 — CID 120918700

IUPAC(2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br.Cl
InChIInChI=1S/C15H20BrN3O3.ClH/c1-10-14(17-7-8-22-10)15(21)19(2)9-13(20)18-12-6-4-3-5-11(12)16;/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,20);1H/t10-,14+;/m1./s1
InChIKeyNRATVSCOEFJXRW-LOSLGVLSSA-N
MW406.71 g/mol
LogP1.64
Rot. Bonds4

About (2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120918700) has the molecular formula C15H21BrClN3O3 and a molecular weight of 406.71 g/mol. Its IUPAC name is (2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
PubChem CID120918700
Molecular FormulaC15H21BrClN3O3
Molecular Weight406.71 g/mol
Exact Mass405.05
IUPAC Name(2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br.Cl
InChIInChI=1S/C15H20BrN3O3.ClH/c1-10-14(17-7-8-22-10)15(21)19(2)9-13(20)18-12-6-4-3-5-11(12)16;/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,20);1H/t10-,14+;/m1./s1
InChIKeyNRATVSCOEFJXRW-LOSLGVLSSA-N
XLogP1.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.71
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918817
(2R,3S)-N-[(2-bromophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918331
(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120924793
(2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide
CID 120920338
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
(2S,5R)-5-(aminomethyl)-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120783891
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783893
(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938273
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783894

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride (CID 120918700) is (2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br.Cl.
What is the InChIKey of (2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is NRATVSCOEFJXRW-LOSLGVLSSA-N. The full InChI is InChI=1S/C15H20BrN3O3.ClH/c1-10-14(17-7-8-22-10)15(21)19(2)9-13(20)18-12-6-4-3-5-11(12)16;/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,20);1H/t10-,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 406.71 g/mol, XLogP of 1.64, 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-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120918700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).