2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide

C16H12BrNO2 — CID 46584991

IUPAC2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)COc2cccc(Br)c2)c1
InChIInChI=1S/C16H12BrNO2/c1-2-12-5-3-7-14(9-12)18-16(19)11-20-15-8-4-6-13(17)10-15/h1,3-10H,11H2,(H,18,19)
InChIKeyODUCZBNFWBZDPL-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.45
Rot. Bonds4

About 2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide

2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide (PubChem CID 46584991) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide
PubChem CID46584991
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)COc2cccc(Br)c2)c1
InChIInChI=1S/C16H12BrNO2/c1-2-12-5-3-7-14(9-12)18-16(19)11-20-15-8-4-6-13(17)10-15/h1,3-10H,11H2,(H,18,19)
InChIKeyODUCZBNFWBZDPL-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 46420198
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 63650319
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 1120128
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide
CID 4843107

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide (CID 46584991) is 2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide is C#Cc1cccc(NC(=O)COc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide?
The InChIKey is ODUCZBNFWBZDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-2-12-5-3-7-14(9-12)18-16(19)11-20-15-8-4-6-13(17)10-15/h1,3-10H,11H2,(H,18,19).
What are the key properties of 2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide?
2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide has a molecular weight of 330.18 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide is sourced from PubChem (CID 46584991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).