N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide

C17H23F2NO4 — CID 75392618

IUPACN-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCOC(C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C17H23F2NO4/c1-12(24-10-9-22-2)16(21)20-17(5-7-23-8-6-17)14-4-3-13(18)11-15(14)19/h3-4,11-12H,5-10H2,1-2H3,(H,20,21)
InChIKeyDXMSOXYOQJUJPS-UHFFFAOYSA-N
MW343.37 g/mol
LogP2.14
Rot. Bonds7

About N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide

N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide (PubChem CID 75392618) has the molecular formula C17H23F2NO4 and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide
PubChem CID75392618
Molecular FormulaC17H23F2NO4
Molecular Weight343.37 g/mol
Exact Mass343.16
IUPAC NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCOC(C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C17H23F2NO4/c1-12(24-10-9-22-2)16(21)20-17(5-7-23-8-6-17)14-4-3-13(18)11-15(14)19/h3-4,11-12H,5-10H2,1-2H3,(H,20,21)
InChIKeyDXMSOXYOQJUJPS-UHFFFAOYSA-N
XLogP2.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide (CID 75392618) is N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide is COCCOC(C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
The InChIKey is DXMSOXYOQJUJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO4/c1-12(24-10-9-22-2)16(21)20-17(5-7-23-8-6-17)14-4-3-13(18)11-15(14)19/h3-4,11-12H,5-10H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide has a molecular weight of 343.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 75392618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).