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

C12H11BrN2O2 — CID 113227551

IUPACN-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide
SMILESC=C(Br)CNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C12H11BrN2O2/c1-9(13)7-15-12(16)8-17-11-4-2-10(6-14)3-5-11/h2-5H,1,7-8H2,(H,15,16)
InChIKeyNKBJOLXLFALHQV-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.96
Rot. Bonds5

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

N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide (PubChem CID 113227551) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide
PubChem CID113227551
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide
SMILESC=C(Br)CNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C12H11BrN2O2/c1-9(13)7-15-12(16)8-17-11-4-2-10(6-14)3-5-11/h2-5H,1,7-8H2,(H,15,16)
InChIKeyNKBJOLXLFALHQV-UHFFFAOYSA-N
XLogP1.96
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
CID 115594704
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide
CID 9019849
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-cyanophenoxy)-N-(2-sulfamoylethyl)acetamide
CID 43552443
N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide
CID 115594649
3-[[2-(4-cyanophenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369712
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
(2S)-2-[[2-[[2-(4-cyanophenoxy)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694771
2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884862
2-(4-cyanophenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 60731032
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46788172

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide (CID 113227551) is N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide is C=C(Br)CNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide?
The InChIKey is NKBJOLXLFALHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-9(13)7-15-12(16)8-17-11-4-2-10(6-14)3-5-11/h2-5H,1,7-8H2,(H,15,16).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide?
N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide has a molecular weight of 295.14 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 113227551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).