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

C14H17F2NO2 — CID 91918188

IUPACN-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCc1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-11(13(16)8-12)9-17-14(18)7-10-3-5-19-6-4-10/h1-2,8,10H,3-7,9H2,(H,17,18)
InChIKeyVZFMEAATBDBGAL-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.40
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide (PubChem CID 91918188) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide
PubChem CID91918188
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCc1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-11(13(16)8-12)9-17-14(18)7-10-3-5-19-6-4-10/h1-2,8,10H,3-7,9H2,(H,17,18)
InChIKeyVZFMEAATBDBGAL-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.40
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)acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide (CID 91918188) is N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is VZFMEAATBDBGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-12-2-1-11(13(16)8-12)9-17-14(18)7-10-3-5-19-6-4-10/h1-2,8,10H,3-7,9H2,(H,17,18).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide?
N-[(2,4-difluorophenyl)methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 269.29 g/mol, XLogP of 2.40, 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)acetamide is sourced from PubChem (CID 91918188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).