(2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide

C15H20FN3O3 — CID 120934412

IUPAC(2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H20FN3O3/c1-9-13(17-6-7-22-9)14(20)18-10-4-5-12(16)11(8-10)15(21)19(2)3/h4-5,8-9,13,17H,6-7H2,1-3H3,(H,18,20)/t9-,13+/m1/s1
InChIKeyVMYFWEJWLSEBPL-RNCFNFMXSA-N
MW309.34 g/mol
LogP0.84
Rot. Bonds3

About (2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120934412) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is (2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120934412
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name(2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H20FN3O3/c1-9-13(17-6-7-22-9)14(20)18-10-4-5-12(16)11(8-10)15(21)19(2)3/h4-5,8-9,13,17H,6-7H2,1-3H3,(H,18,20)/t9-,13+/m1/s1
InChIKeyVMYFWEJWLSEBPL-RNCFNFMXSA-N
XLogP0.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921201
(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-(3,5-difluoro-4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929742
(2R,3S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120918025
(2R,3S)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide
CID 120934367
(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930079
(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120930391
(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide
CID 120941563

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide (CID 120934412) is (2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1.
What is the InChIKey of (2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is VMYFWEJWLSEBPL-RNCFNFMXSA-N. The full InChI is InChI=1S/C15H20FN3O3/c1-9-13(17-6-7-22-9)14(20)18-10-4-5-12(16)11(8-10)15(21)19(2)3/h4-5,8-9,13,17H,6-7H2,1-3H3,(H,18,20)/t9-,13+/m1/s1.
What are the key properties of (2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120934412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).