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

C15H19F2NO2 — CID 91918216

IUPACN-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCc1ccc(F)cc1F)C1CCOCC1
InChIInChI=1S/C15H19F2NO2/c1-10(11-4-6-20-7-5-11)15(19)18-9-12-2-3-13(16)8-14(12)17/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,19)
InChIKeyRIPZDYDYSMUJLD-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.64
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide (PubChem CID 91918216) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide
PubChem CID91918216
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCc1ccc(F)cc1F)C1CCOCC1
InChIInChI=1S/C15H19F2NO2/c1-10(11-4-6-20-7-5-11)15(19)18-9-12-2-3-13(16)8-14(12)17/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,19)
InChIKeyRIPZDYDYSMUJLD-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-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide (CID 91918216) is N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide is CC(C(=O)NCc1ccc(F)cc1F)C1CCOCC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
The InChIKey is RIPZDYDYSMUJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-10(11-4-6-20-7-5-11)15(19)18-9-12-2-3-13(16)8-14(12)17/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,19).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
N-[(2,4-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-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 91918216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).