N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide

C13H15F2NO2 — CID 110863603

IUPACN-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO2/c14-10-1-2-12(11(15)8-10)16-13(17)7-9-3-5-18-6-4-9/h1-2,8-9H,3-7H2,(H,16,17)
InChIKeyVNPMDULITOIBGN-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.72
Rot. Bonds3

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

N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide (PubChem CID 110863603) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide
PubChem CID110863603
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC NameN-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO2/c14-10-1-2-12(11(15)8-10)16-13(17)7-9-3-5-18-6-4-9/h1-2,8-9H,3-7H2,(H,16,17)
InChIKeyVNPMDULITOIBGN-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
N-(2,4-difluorophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9209582
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
CID 43358568
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
N-(2-amino-4-fluorophenyl)-4-(oxan-4-ylsulfanyl)butanamide
CID 62994992
N-(4-chloro-2-fluorophenyl)-2-[(7S)-3-(oxan-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
CID 164636789
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
CID 154865208

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide (CID 110863603) is N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is VNPMDULITOIBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-10-1-2-12(11(15)8-10)16-13(17)7-9-3-5-18-6-4-9/h1-2,8-9H,3-7H2,(H,16,17).
What are the key properties of N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide?
N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 255.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 110863603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).