2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide

C25H24Cl2FNO3 — CID 155686158

IUPAC2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide
SMILESC[C@H](c1ccc(F)cc1)c1cc(Cc2c(Cl)cc(OCC(=O)N(C)C)cc2Cl)ccc1O
InChIInChI=1S/C25H24Cl2FNO3/c1-15(17-5-7-18(28)8-6-17)20-10-16(4-9-24(20)30)11-21-22(26)12-19(13-23(21)27)32-14-25(31)29(2)3/h4-10,12-13,15,30H,11,14H2,1-3H3/t15-/m1/s1
InChIKeyHKUJHRXRXYJMCW-OAHLLOKOSA-N
MW476.38 g/mol
LogP6.05
Rot. Bonds7

About 2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide

2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 155686158) has the molecular formula C25H24Cl2FNO3 and a molecular weight of 476.38 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide
PubChem CID155686158
Molecular FormulaC25H24Cl2FNO3
Molecular Weight476.38 g/mol
Exact Mass475.11
IUPAC Name2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide
SMILESC[C@H](c1ccc(F)cc1)c1cc(Cc2c(Cl)cc(OCC(=O)N(C)C)cc2Cl)ccc1O
InChIInChI=1S/C25H24Cl2FNO3/c1-15(17-5-7-18(28)8-6-17)20-10-16(4-9-24(20)30)11-21-22(26)12-19(13-23(21)27)32-14-25(31)29(2)3/h4-10,12-13,15,30H,11,14H2,1-3H3/t15-/m1/s1
InChIKeyHKUJHRXRXYJMCW-OAHLLOKOSA-N
XLogP6.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

Abx-002
CID 132160637
2-[2-[2-(2-Chlorophenyl)-4-(3-fluorophenyl)phenoxy]ethyl-methylamino]acetic acid
CID 70328618
3-[5-(2-Chlorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]-3-(2-fluoro-4-methoxyphenyl)prop-2-enal
CID 90831250
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-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-(2,2-difluoroethyl)acetamide
CID 139426707
2-[3,5-Dichloro-4-[[3-(5-ethyl-2-fluorophenyl)-4-hydroxyphenyl]methyl]phenoxy]acetic acid
CID 155686134
Methyl 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)propyl]-4-hydroxyphenyl]methyl]phenoxy]acetate
CID 155686141
2-[3,5-Dichloro-4-[[3-[(3-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid
CID 155686142
2-[3,5-Dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid
CID 155686144
2-[3-Chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 155686146
2-[3,5-Dichloro-4-[[3-[cyclopropyl-(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid
CID 155686147

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide (CID 155686158) is 2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide is C[C@H](c1ccc(F)cc1)c1cc(Cc2c(Cl)cc(OCC(=O)N(C)C)cc2Cl)ccc1O.
What is the InChIKey of 2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is HKUJHRXRXYJMCW-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H24Cl2FNO3/c1-15(17-5-7-18(28)8-6-17)20-10-16(4-9-24(20)30)11-21-22(26)12-19(13-23(21)27)32-14-25(31)29(2)3/h4-10,12-13,15,30H,11,14H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide?
2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 476.38 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 155686158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).