2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide

C13H14BrNO2 — CID 123294863

IUPAC2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide
SMILESC=Cc1cc(Br)cc(OCC(=O)NC2CC2)c1
InChIInChI=1S/C13H14BrNO2/c1-2-9-5-10(14)7-12(6-9)17-8-13(16)15-11-3-4-11/h2,5-7,11H,1,3-4,8H2,(H,15,16)
InChIKeyPYYCZKUCGSQGJO-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.75
Rot. Bonds5

About 2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide

2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide (PubChem CID 123294863) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide
PubChem CID123294863
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide
SMILESC=Cc1cc(Br)cc(OCC(=O)NC2CC2)c1
InChIInChI=1S/C13H14BrNO2/c1-2-9-5-10(14)7-12(6-9)17-8-13(16)15-11-3-4-11/h2,5-7,11H,1,3-4,8H2,(H,15,16)
InChIKeyPYYCZKUCGSQGJO-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide
CID 175686803
2-(3-bromo-5-iodophenoxy)-N-(oxan-4-yl)acetamide
CID 175686810
(E)-3-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 29018379
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314
ethyl 4-[[2-(3-bromophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 9012567
N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide
CID 176515195
5-bromo-2-[2-(cyclopropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 112620836
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide?
The IUPAC name of 2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide (CID 123294863) is 2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide is C=Cc1cc(Br)cc(OCC(=O)NC2CC2)c1.
What is the InChIKey of 2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide?
The InChIKey is PYYCZKUCGSQGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-2-9-5-10(14)7-12(6-9)17-8-13(16)15-11-3-4-11/h2,5-7,11H,1,3-4,8H2,(H,15,16).
What are the key properties of 2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide?
2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide has a molecular weight of 296.16 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide is sourced from PubChem (CID 123294863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).