N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide

C13H17FN2O2 — CID 3226669

IUPACN-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c14-11-5-1-2-6-12(11)16-13(17)9-15-8-10-4-3-7-18-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)
InChIKeyPVGBPVJYLSPPON-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.53
Rot. Bonds5

About N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide

N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 3226669) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID3226669
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c14-11-5-1-2-6-12(11)16-13(17)9-15-8-10-4-3-7-18-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)
InChIKeyPVGBPVJYLSPPON-UHFFFAOYSA-N
XLogP1.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 3226669) is N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide is O=C(CNCC1CCCO1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is PVGBPVJYLSPPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-5-1-2-6-12(11)16-13(17)9-15-8-10-4-3-7-18-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17).
What are the key properties of N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 252.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 3226669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).