2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide

C18H23BrN2O4 — CID 75534322

IUPAC2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CCC(C)(O)CC1
InChIInChI=1S/C18H23BrN2O4/c1-3-24-15-9-12(10-20)8-14(19)17(15)25-11-16(22)21-13-4-6-18(2,23)7-5-13/h8-9,13,23H,3-7,11H2,1-2H3,(H,21,22)
InChIKeyRNWCWTTWRGYRRM-UHFFFAOYSA-N
MW411.30 g/mol
LogP2.91
Rot. Bonds6

About 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide (PubChem CID 75534322) has the molecular formula C18H23BrN2O4 and a molecular weight of 411.30 g/mol. Its IUPAC name is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide
PubChem CID75534322
Molecular FormulaC18H23BrN2O4
Molecular Weight411.30 g/mol
Exact Mass410.08
IUPAC Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CCC(C)(O)CC1
InChIInChI=1S/C18H23BrN2O4/c1-3-24-15-9-12(10-20)8-14(19)17(15)25-11-16(22)21-13-4-6-18(2,23)7-5-13/h8-9,13,23H,3-7,11H2,1-2H3,(H,21,22)
InChIKeyRNWCWTTWRGYRRM-UHFFFAOYSA-N
XLogP2.91
TPSA91.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide 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

N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide
CID 55682966
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide
CID 39877203
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 7706813
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7706828
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide
CID 55670276
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55721921
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78870008
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7706808
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
CID 55667773
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 55670661

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide (CID 75534322) is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide is CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CCC(C)(O)CC1.
What is the InChIKey of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide?
The InChIKey is RNWCWTTWRGYRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O4/c1-3-24-15-9-12(10-20)8-14(19)17(15)25-11-16(22)21-13-4-6-18(2,23)7-5-13/h8-9,13,23H,3-7,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide?
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide has a molecular weight of 411.30 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide is sourced from PubChem (CID 75534322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).