(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide

C15H18F2N2O3 — CID 124958386

IUPAC(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@@](C)(C(=O)NCc2ccc(F)cc2F)C1
InChIInChI=1S/C15H18F2N2O3/c1-10(20)19-5-6-22-15(2,9-19)14(21)18-8-11-3-4-12(16)7-13(11)17/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyGFWXWKDGGHWXRJ-OAHLLOKOSA-N
MW312.32 g/mol
LogP1.22
Rot. Bonds3

About (2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide

(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide (PubChem CID 124958386) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is (2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
PubChem CID124958386
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@@](C)(C(=O)NCc2ccc(F)cc2F)C1
InChIInChI=1S/C15H18F2N2O3/c1-10(20)19-5-6-22-15(2,9-19)14(21)18-8-11-3-4-12(16)7-13(11)17/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyGFWXWKDGGHWXRJ-OAHLLOKOSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958385
N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 127247774
(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124977452
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999171
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
1-(4-tert-butylbenzoyl)-N-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999168
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
4-acetyl-2-methyl-N-(2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 110094654
(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 124953771
N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide
CID 52999173
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 110267598
(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 124968264

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide (CID 124958386) is (2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide is CC(=O)N1CCO[C@@](C)(C(=O)NCc2ccc(F)cc2F)C1.
What is the InChIKey of (2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide?
The InChIKey is GFWXWKDGGHWXRJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-10(20)19-5-6-22-15(2,9-19)14(21)18-8-11-3-4-12(16)7-13(11)17/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide?
(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 124958386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).