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

C12H15BrClFN2O2 — CID 120922063

IUPAC(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C12H14BrFN2O2.ClH/c1-7-11(15-4-5-18-7)12(17)16-8-2-3-10(14)9(13)6-8;/h2-3,6-7,11,15H,4-5H2,1H3,(H,16,17);1H/t7-,11+;/m1./s1
InChIKeyMJPJNTSYVGKYHS-YERNIVPCSA-N
MW353.62 g/mol
LogP2.33
Rot. Bonds2

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

(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120922063) has the molecular formula C12H15BrClFN2O2 and a molecular weight of 353.62 g/mol. Its IUPAC name is (2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120922063
Molecular FormulaC12H15BrClFN2O2
Molecular Weight353.62 g/mol
Exact Mass352.00
IUPAC Name(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C12H14BrFN2O2.ClH/c1-7-11(15-4-5-18-7)12(17)16-8-2-3-10(14)9(13)6-8;/h2-3,6-7,11,15H,4-5H2,1H3,(H,16,17);1H/t7-,11+;/m1./s1
InChIKeyMJPJNTSYVGKYHS-YERNIVPCSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.62
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921201
(2R,3S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120918025
(2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide
CID 120934412
(2R,3S)-N-(3,5-difluoro-4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929742
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930079
(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101
(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120922063) is (2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(F)c(Br)c1.Cl.
What is the InChIKey of (2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is MJPJNTSYVGKYHS-YERNIVPCSA-N. The full InChI is InChI=1S/C12H14BrFN2O2.ClH/c1-7-11(15-4-5-18-7)12(17)16-8-2-3-10(14)9(13)6-8;/h2-3,6-7,11,15H,4-5H2,1H3,(H,16,17);1H/t7-,11+;/m1./s1.
What are the key properties of (2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 353.62 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120922063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).