2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide

C24H22BrF2NO4 — CID 155686138

IUPAC2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(C)c(Cc2ccc(O)c(-c3cccc(OC(F)F)c3)c2)c(Br)c1
InChIInChI=1S/C24H22BrF2NO4/c1-14-8-18(31-13-23(30)28-2)12-21(25)19(14)9-15-6-7-22(29)20(10-15)16-4-3-5-17(11-16)32-24(26)27/h3-8,10-12,24,29H,9,13H2,1-2H3,(H,28,30)
InChIKeyKDCVGOPESJGNAD-UHFFFAOYSA-N
MW506.34 g/mol
LogP5.45
Rot. Bonds8

About 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide

2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide (PubChem CID 155686138) has the molecular formula C24H22BrF2NO4 and a molecular weight of 506.34 g/mol. Its IUPAC name is 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide
PubChem CID155686138
Molecular FormulaC24H22BrF2NO4
Molecular Weight506.34 g/mol
Exact Mass505.07
IUPAC Name2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(C)c(Cc2ccc(O)c(-c3cccc(OC(F)F)c3)c2)c(Br)c1
InChIInChI=1S/C24H22BrF2NO4/c1-14-8-18(31-13-23(30)28-2)12-21(25)19(14)9-15-6-7-22(29)20(10-15)16-4-3-5-17(11-16)32-24(26)27/h3-8,10-12,24,29H,9,13H2,1-2H3,(H,28,30)
InChIKeyKDCVGOPESJGNAD-UHFFFAOYSA-N
XLogP5.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.34
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide 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

2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide
CID 59492672
2-[3,5-dibromo-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-(2-fluoroethyl)acetamide
CID 139426700
2-[3,5-dibromo-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 139426701
2-[3,5-dibromo-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-(2,2-difluoroethyl)acetamide
CID 139426716
2-[3-bromo-4-[[3-[1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide
CID 155686182
2-[3-Bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 155686198
2-[3-Bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]acetic acid
CID 155686221
Ethyl 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]acetate
CID 155686294
2-[3,5-dibromo-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-methylacetamide
CID 132160623
2-[3-bromo-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]-N-methoxyacetamide
CID 139426640
N-benzyl-2-[3-bromo-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]acetamide
CID 139426691
2-[3,5-dibromo-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 139426768

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide (CID 155686138) is 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide is CNC(=O)COc1cc(C)c(Cc2ccc(O)c(-c3cccc(OC(F)F)c3)c2)c(Br)c1.
What is the InChIKey of 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide?
The InChIKey is KDCVGOPESJGNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrF2NO4/c1-14-8-18(31-13-23(30)28-2)12-21(25)19(14)9-15-6-7-22(29)20(10-15)16-4-3-5-17(11-16)32-24(26)27/h3-8,10-12,24,29H,9,13H2,1-2H3,(H,28,30).
What are the key properties of 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide?
2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide has a molecular weight of 506.34 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide is sourced from PubChem (CID 155686138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).