2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide

C25H24Cl2FNO3 — CID 155686241

IUPAC2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide
SMILESCCC(c1ccc(F)cc1)c1cc(Cc2c(Cl)cc(OCC(=O)NC)cc2Cl)ccc1O
InChIInChI=1S/C25H24Cl2FNO3/c1-3-19(16-5-7-17(28)8-6-16)20-10-15(4-9-24(20)30)11-21-22(26)12-18(13-23(21)27)32-14-25(31)29-2/h4-10,12-13,19,30H,3,11,14H2,1-2H3,(H,29,31)
InChIKeyLWHZNHJHNWQIBF-UHFFFAOYSA-N
MW476.38 g/mol
LogP6.10
Rot. Bonds8

About 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide

2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide (PubChem CID 155686241) has the molecular formula C25H24Cl2FNO3 and a molecular weight of 476.38 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide
PubChem CID155686241
Molecular FormulaC25H24Cl2FNO3
Molecular Weight476.38 g/mol
Exact Mass475.11
IUPAC Name2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide
SMILESCCC(c1ccc(F)cc1)c1cc(Cc2c(Cl)cc(OCC(=O)NC)cc2Cl)ccc1O
InChIInChI=1S/C25H24Cl2FNO3/c1-3-19(16-5-7-17(28)8-6-16)20-10-15(4-9-24(20)30)11-21-22(26)12-18(13-23(21)27)32-14-25(31)29-2/h4-10,12-13,19,30H,3,11,14H2,1-2H3,(H,29,31)
InChIKeyLWHZNHJHNWQIBF-UHFFFAOYSA-N
XLogP6.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Abx-002
CID 132160637
2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-(2-fluoroethyl)acetamide
CID 139426657
2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 139426692
2-[3-bromo-5-chloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-(2-fluoroethyl)acetamide
CID 139426699
2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-(2,2-difluoroethyl)acetamide
CID 139426707
Methyl 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]acetate
CID 155686141
2-[3-Chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 155686146
1-(Azetidin-1-yl)-2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]ethanone
CID 155686156
2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide
CID 155686158
1-(Azetidin-1-yl)-2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]ethanone
CID 155686181
Methyl 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]acetate
CID 155686191
2-[3,5-Dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 155686196

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide (CID 155686241) is 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide is CCC(c1ccc(F)cc1)c1cc(Cc2c(Cl)cc(OCC(=O)NC)cc2Cl)ccc1O.
What is the InChIKey of 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide?
The InChIKey is LWHZNHJHNWQIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FNO3/c1-3-19(16-5-7-17(28)8-6-16)20-10-15(4-9-24(20)30)11-21-22(26)12-18(13-23(21)27)32-14-25(31)29-2/h4-10,12-13,19,30H,3,11,14H2,1-2H3,(H,29,31).
What are the key properties of 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide?
2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide has a molecular weight of 476.38 g/mol, XLogP of 6.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 155686241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).