2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide

C14H17ClFNO2 — CID 2970255

IUPAC2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)C1CCCO1
InChIInChI=1S/C14H17ClFNO2/c1-9(13-6-3-7-19-13)17-14(18)8-10-11(15)4-2-5-12(10)16/h2,4-5,9,13H,3,6-8H2,1H3,(H,17,18)
InChIKeyTYSCTPQMLHGWOJ-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.71
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide (PubChem CID 2970255) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
PubChem CID2970255
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)C1CCCO1
InChIInChI=1S/C14H17ClFNO2/c1-9(13-6-3-7-19-13)17-14(18)8-10-11(15)4-2-5-12(10)16/h2,4-5,9,13H,3,6-8H2,1H3,(H,17,18)
InChIKeyTYSCTPQMLHGWOJ-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide (CID 2970255) is 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide is CC(NC(=O)Cc1c(F)cccc1Cl)C1CCCO1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The InChIKey is TYSCTPQMLHGWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-9(13-6-3-7-19-13)17-14(18)8-10-11(15)4-2-5-12(10)16/h2,4-5,9,13H,3,6-8H2,1H3,(H,17,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide has a molecular weight of 285.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 2970255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).