N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide

C11H11BrFNO2 — CID 115594704

IUPACN-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
SMILESC=C(Br)CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C11H11BrFNO2/c1-8(12)6-14-11(15)7-16-10-4-2-9(13)3-5-10/h2-5H,1,6-7H2,(H,14,15)
InChIKeyOBDYCKRUECPIJU-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.23
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide

N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide (PubChem CID 115594704) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
PubChem CID115594704
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC NameN-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
SMILESC=C(Br)CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C11H11BrFNO2/c1-8(12)6-14-11(15)7-16-10-4-2-9(13)3-5-10/h2-5H,1,6-7H2,(H,14,15)
InChIKeyOBDYCKRUECPIJU-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide
CID 115594649
N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide
CID 113227551
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
CID 7100216
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide
CID 47438875
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
CID 115636840
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 32774847
N-cyano-2-(4-fluorophenoxy)acetamide
CID 79194261
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 133123523

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide (CID 115594704) is N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide is C=C(Br)CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is OBDYCKRUECPIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c1-8(12)6-14-11(15)7-16-10-4-2-9(13)3-5-10/h2-5H,1,6-7H2,(H,14,15).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide?
N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 288.12 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 115594704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).