2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide

C17H15BrN2O2 — CID 4270480

IUPAC2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(C#N)c2)c(C)cc1Br
InChIInChI=1S/C17H15BrN2O2/c1-11-7-16(12(2)6-15(11)18)22-10-17(21)20-14-5-3-4-13(8-14)9-19/h3-8H,10H2,1-2H3,(H,20,21)
InChIKeyWGMKTNJLZNHZGP-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.96
Rot. Bonds4

About 2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide

2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide (PubChem CID 4270480) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide
PubChem CID4270480
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(C#N)c2)c(C)cc1Br
InChIInChI=1S/C17H15BrN2O2/c1-11-7-16(12(2)6-15(11)18)22-10-17(21)20-14-5-3-4-13(8-14)9-19/h3-8H,10H2,1-2H3,(H,20,21)
InChIKeyWGMKTNJLZNHZGP-UHFFFAOYSA-N
XLogP3.96
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 2578049
2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055
2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide
CID 7820172
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
2-(2-bromo-4-methylphenoxy)-N-[(3-cyanophenyl)carbamothioyl]acetamide
CID 3291333
N-(3-acetamidophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978105
N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide
CID 7382555
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336183

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide (CID 4270480) is 2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide is Cc1cc(OCC(=O)Nc2cccc(C#N)c2)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide?
The InChIKey is WGMKTNJLZNHZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11-7-16(12(2)6-15(11)18)22-10-17(21)20-14-5-3-4-13(8-14)9-19/h3-8H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide?
2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide has a molecular weight of 359.22 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 4270480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).