N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide

C15H19F2NO2 — CID 110876398

IUPACN-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCc1cc(F)cc(F)c1)C1CCOCC1
InChIInChI=1S/C15H19F2NO2/c1-10(12-2-4-20-5-3-12)15(19)18-9-11-6-13(16)8-14(17)7-11/h6-8,10,12H,2-5,9H2,1H3,(H,18,19)
InChIKeyZUDYHFJJIMIDQS-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.64
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide

N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide (PubChem CID 110876398) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide
PubChem CID110876398
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCc1cc(F)cc(F)c1)C1CCOCC1
InChIInChI=1S/C15H19F2NO2/c1-10(12-2-4-20-5-3-12)15(19)18-9-11-6-13(16)8-14(17)7-11/h6-8,10,12H,2-5,9H2,1H3,(H,18,19)
InChIKeyZUDYHFJJIMIDQS-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide (CID 110876398) is N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide is CC(C(=O)NCc1cc(F)cc(F)c1)C1CCOCC1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
The InChIKey is ZUDYHFJJIMIDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-10(12-2-4-20-5-3-12)15(19)18-9-11-6-13(16)8-14(17)7-11/h6-8,10,12H,2-5,9H2,1H3,(H,18,19).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide has a molecular weight of 283.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 110876398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).