2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide

C12H13F2NO2 — CID 99928750

IUPAC2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)N[C@@H]1CCOC1
InChIInChI=1S/C12H13F2NO2/c13-9-3-8(4-10(14)6-9)5-12(16)15-11-1-2-17-7-11/h3-4,6,11H,1-2,5,7H2,(H,15,16)/t11-/m1/s1
InChIKeyMBDGUEGTBLDRLN-LLVKDONJSA-N
MW241.24 g/mol
LogP1.41
Rot. Bonds3

About 2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide

2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide (PubChem CID 99928750) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide
PubChem CID99928750
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)N[C@@H]1CCOC1
InChIInChI=1S/C12H13F2NO2/c13-9-3-8(4-10(14)6-9)5-12(16)15-11-1-2-17-7-11/h3-4,6,11H,1-2,5,7H2,(H,15,16)/t11-/m1/s1
InChIKeyMBDGUEGTBLDRLN-LLVKDONJSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 77089658
3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide
CID 172647618
3,3-difluoro-N-(oxolan-3-yl)butanamide
CID 130702956
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271
N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide
CID 176515195
N-(3,5-difluorophenyl)oxolan-3-amine
CID 63331468
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
2-(5-amino-2-pyridinyl)-N-(oxolan-3-yl)acetamide
CID 107339286
4-chloro-N-(oxolan-3-yl)butanamide
CID 80717187
4-amino-4-methyl-N-(oxolan-3-yl)pentanamide
CID 80713467
N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80713697
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide (CID 99928750) is 2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide is O=C(Cc1cc(F)cc(F)c1)N[C@@H]1CCOC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide?
The InChIKey is MBDGUEGTBLDRLN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-3-8(4-10(14)6-9)5-12(16)15-11-1-2-17-7-11/h3-4,6,11H,1-2,5,7H2,(H,15,16)/t11-/m1/s1.
What are the key properties of 2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide?
2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide has a molecular weight of 241.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide is sourced from PubChem (CID 99928750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).