2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide

C13H16FNO2 — CID 3148058

IUPAC2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)8-13(16)15-9-12-2-1-7-17-12/h3-6,12H,1-2,7-9H2,(H,15,16)
InChIKeyRZJRHKVMSWZDKP-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.66
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide

2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3148058) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3148058
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)8-13(16)15-9-12-2-1-7-17-12/h3-6,12H,1-2,7-9H2,(H,15,16)
InChIKeyRZJRHKVMSWZDKP-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 3148058) is 2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide is O=C(Cc1ccc(F)cc1)NCC1CCCO1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RZJRHKVMSWZDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)8-13(16)15-9-12-2-1-7-17-12/h3-6,12H,1-2,7-9H2,(H,15,16).
What are the key properties of 2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 237.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3148058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).