N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide

C14H16F2N2O3 — CID 124621960

IUPACN-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
SMILESC[C@@H]1[C@@H](C)OCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O3/c1-8-9(2)21-4-3-18(8)14(20)13(19)17-12-6-10(15)5-11(16)7-12/h5-9H,3-4H2,1-2H3,(H,17,19)/t8-,9-/m1/s1
InChIKeyYKHLRZFXPRRRNT-RKDXNWHRSA-N
MW298.29 g/mol
LogP1.54
Rot. Bonds1

About N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide

N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide (PubChem CID 124621960) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
PubChem CID124621960
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC NameN-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
SMILESC[C@@H]1[C@@H](C)OCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O3/c1-8-9(2)21-4-3-18(8)14(20)13(19)17-12-6-10(15)5-11(16)7-12/h5-9H,3-4H2,1-2H3,(H,17,19)/t8-,9-/m1/s1
InChIKeyYKHLRZFXPRRRNT-RKDXNWHRSA-N
XLogP1.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide (CID 124621960) is N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide is C[C@@H]1[C@@H](C)OCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide?
The InChIKey is YKHLRZFXPRRRNT-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-8-9(2)21-4-3-18(8)14(20)13(19)17-12-6-10(15)5-11(16)7-12/h5-9H,3-4H2,1-2H3,(H,17,19)/t8-,9-/m1/s1.
What are the key properties of N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide?
N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide has a molecular weight of 298.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide is sourced from PubChem (CID 124621960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).