N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide

C14H17BrFNO2 — CID 56783743

IUPACN-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCCc1ccc(Br)cc1F
InChIInChI=1S/C14H17BrFNO2/c15-11-4-3-10(13(16)8-11)5-6-17-14(18)9-12-2-1-7-19-12/h3-4,8,12H,1-2,5-7,9H2,(H,17,18)
InChIKeyFLUYSFYNNOXAIC-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide

N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide (PubChem CID 56783743) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide
PubChem CID56783743
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC NameN-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCCc1ccc(Br)cc1F
InChIInChI=1S/C14H17BrFNO2/c15-11-4-3-10(13(16)8-11)5-6-17-14(18)9-12-2-1-7-19-12/h3-4,8,12H,1-2,5-7,9H2,(H,17,18)
InChIKeyFLUYSFYNNOXAIC-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)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 N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide (CID 56783743) is N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NCCc1ccc(Br)cc1F.
What is the InChIKey of N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is FLUYSFYNNOXAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-11-4-3-10(13(16)8-11)5-6-17-14(18)9-12-2-1-7-19-12/h3-4,8,12H,1-2,5-7,9H2,(H,17,18).
What are the key properties of N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide?
N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 330.20 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 56783743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).