4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide

C13H8BrF2NO2 — CID 43232827

IUPAC4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
SMILESNC(=O)c1ccc(Oc2ccc(F)cc2Br)c(F)c1
InChIInChI=1S/C13H8BrF2NO2/c14-9-6-8(15)2-4-11(9)19-12-3-1-7(13(17)18)5-10(12)16/h1-6H,(H2,17,18)
InChIKeyLXIRCXABVUNUKY-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.62
Rot. Bonds3

About 4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide

4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide (PubChem CID 43232827) has the molecular formula C13H8BrF2NO2 and a molecular weight of 328.11 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
PubChem CID43232827
Molecular FormulaC13H8BrF2NO2
Molecular Weight328.11 g/mol
Exact Mass326.97
IUPAC Name4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
SMILESNC(=O)c1ccc(Oc2ccc(F)cc2Br)c(F)c1
InChIInChI=1S/C13H8BrF2NO2/c14-9-6-8(15)2-4-11(9)19-12-3-1-7(13(17)18)5-10(12)16/h1-6H,(H2,17,18)
InChIKeyLXIRCXABVUNUKY-UHFFFAOYSA-N
XLogP3.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide 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

3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
CID 24704635
4-amino-3-(4-bromo-2-fluorophenoxy)benzamide
CID 63356585
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
1-[4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]ethanone
CID 28602673
3-amino-4-(2,4-dibromophenoxy)benzamide
CID 64720185
3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide
CID 82800403
bis(2-bromo-4-fluorophenyl) benzene-1,4-dicarboxylate
CID 91742491
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide
CID 118197886
3-fluoro-4-(4-formylphenoxy)benzamide
CID 57352536
4-[bis(4-fluorophenyl)methoxy]-3-fluorobenzamide
CID 70810815

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide?
The IUPAC name of 4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide (CID 43232827) is 4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide.
What is the SMILES notation for 4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide?
The canonical SMILES for 4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide is NC(=O)c1ccc(Oc2ccc(F)cc2Br)c(F)c1.
What is the InChIKey of 4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide?
The InChIKey is LXIRCXABVUNUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO2/c14-9-6-8(15)2-4-11(9)19-12-3-1-7(13(17)18)5-10(12)16/h1-6H,(H2,17,18).
What are the key properties of 4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide?
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide has a molecular weight of 328.11 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide is sourced from PubChem (CID 43232827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).