(2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide

C15H19FN2O3 — CID 95838195

IUPAC(2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide
SMILESC[C@]1(C(N)=O)CN(C(=O)CCc2ccc(F)cc2)CCO1
InChIInChI=1S/C15H19FN2O3/c1-15(14(17)20)10-18(8-9-21-15)13(19)7-4-11-2-5-12(16)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H2,17,20)/t15-/m1/s1
InChIKeyZBIVJYHJIXJQRP-OAHLLOKOSA-N
MW294.33 g/mol
LogP0.86
Rot. Bonds4

About (2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide

(2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide (PubChem CID 95838195) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide
PubChem CID95838195
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide
SMILESC[C@]1(C(N)=O)CN(C(=O)CCc2ccc(F)cc2)CCO1
InChIInChI=1S/C15H19FN2O3/c1-15(14(17)20)10-18(8-9-21-15)13(19)7-4-11-2-5-12(16)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H2,17,20)/t15-/m1/s1
InChIKeyZBIVJYHJIXJQRP-OAHLLOKOSA-N
XLogP0.86
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-4-(2-naphthalen-2-ylacetyl)morpholine-2-carboxamide
CID 124986005
methyl (3R)-1-[3-(4-fluorophenyl)propanoyl]-3-methylpyrrolidine-3-carboxylate
CID 97022319
4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide
CID 110268223
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide
CID 95838161
4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide
CID 127247682
4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide
CID 110268310
N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 110249120
(2R)-4-[2-(3-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide
CID 124977112
2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide
CID 127247698
2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide
CID 73439576
(2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide
CID 95838198

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide (CID 95838195) is (2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide is C[C@]1(C(N)=O)CN(C(=O)CCc2ccc(F)cc2)CCO1.
What is the InChIKey of (2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide?
The InChIKey is ZBIVJYHJIXJQRP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(14(17)20)10-18(8-9-21-15)13(19)7-4-11-2-5-12(16)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H2,17,20)/t15-/m1/s1.
What are the key properties of (2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide?
(2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 95838195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).