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

C12H16ClIN2O2 — CID 120917297

IUPAC(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(I)cc1.Cl
InChIInChI=1S/C12H15IN2O2.ClH/c1-8-11(14-6-7-17-8)12(16)15-10-4-2-9(13)3-5-10;/h2-5,8,11,14H,6-7H2,1H3,(H,15,16);1H/t8-,11+;/m1./s1
InChIKeyCXMGFMDMLACASQ-NINOIYOQSA-N
MW382.63 g/mol
LogP2.03
Rot. Bonds2

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

(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120917297) has the molecular formula C12H16ClIN2O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is (2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120917297
Molecular FormulaC12H16ClIN2O2
Molecular Weight382.63 g/mol
Exact Mass381.99
IUPAC Name(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(I)cc1.Cl
InChIInChI=1S/C12H15IN2O2.ClH/c1-8-11(14-6-7-17-8)12(16)15-10-4-2-9(13)3-5-10;/h2-5,8,11,14H,6-7H2,1H3,(H,15,16);1H/t8-,11+;/m1./s1
InChIKeyCXMGFMDMLACASQ-NINOIYOQSA-N
XLogP2.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-(3,5-difluoro-4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929742
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(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
(2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120924476
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
(2R,3S)-N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925642
(2R,3S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120930531

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120917297) is (2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(I)cc1.Cl.
What is the InChIKey of (2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is CXMGFMDMLACASQ-NINOIYOQSA-N. The full InChI is InChI=1S/C12H15IN2O2.ClH/c1-8-11(14-6-7-17-8)12(16)15-10-4-2-9(13)3-5-10;/h2-5,8,11,14H,6-7H2,1H3,(H,15,16);1H/t8-,11+;/m1./s1.
What are the key properties of (2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 382.63 g/mol, XLogP of 2.03, 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-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120917297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).