2-(4-bromo-2-cyanophenoxy)-N-propylacetamide

C12H13BrN2O2 — CID 80601766

IUPAC2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(Br)cc1C#N
InChIInChI=1S/C12H13BrN2O2/c1-2-5-15-12(16)8-17-11-4-3-10(13)6-9(11)7-14/h3-4,6H,2,5,8H2,1H3,(H,15,16)
InChIKeyNUOXEIOFBXHDNA-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.23
Rot. Bonds5

About 2-(4-bromo-2-cyanophenoxy)-N-propylacetamide

2-(4-bromo-2-cyanophenoxy)-N-propylacetamide (PubChem CID 80601766) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-(4-bromo-2-cyanophenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
PubChem CID80601766
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(Br)cc1C#N
InChIInChI=1S/C12H13BrN2O2/c1-2-5-15-12(16)8-17-11-4-3-10(13)6-9(11)7-14/h3-4,6H,2,5,8H2,1H3,(H,15,16)
InChIKeyNUOXEIOFBXHDNA-UHFFFAOYSA-N
XLogP2.23
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-cyanophenoxy)-N-propylacetamide 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

2-(4-bromo-2-cyanophenoxy)-N-butylacetamide
CID 80602356
2-(4-amino-2-cyanophenoxy)-N-propylacetamide
CID 61268284
2-(4-bromo-2-cyanophenoxy)-N-(3-methoxypropyl)acetamide
CID 80601774
2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 80604720
2-(5-chloro-2-cyanophenoxy)-N-propylacetamide
CID 80708099
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide
CID 80611460
2-[4-bromo-2-(propylaminomethyl)phenoxy]-N-(cyanomethyl)acetamide
CID 60882931
2-(4-amino-2-bromophenoxy)-N-propylacetamide
CID 155894555
5-bromo-2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 83136320
2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide
CID 62393036

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-cyanophenoxy)-N-propylacetamide?
The IUPAC name of 2-(4-bromo-2-cyanophenoxy)-N-propylacetamide (CID 80601766) is 2-(4-bromo-2-cyanophenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(4-bromo-2-cyanophenoxy)-N-propylacetamide?
The canonical SMILES for 2-(4-bromo-2-cyanophenoxy)-N-propylacetamide is CCCNC(=O)COc1ccc(Br)cc1C#N.
What is the InChIKey of 2-(4-bromo-2-cyanophenoxy)-N-propylacetamide?
The InChIKey is NUOXEIOFBXHDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-2-5-15-12(16)8-17-11-4-3-10(13)6-9(11)7-14/h3-4,6H,2,5,8H2,1H3,(H,15,16).
What are the key properties of 2-(4-bromo-2-cyanophenoxy)-N-propylacetamide?
2-(4-bromo-2-cyanophenoxy)-N-propylacetamide has a molecular weight of 297.15 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-cyanophenoxy)-N-propylacetamide is sourced from PubChem (CID 80601766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).