2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide

C24H24FNO3 — CID 23538327

IUPAC2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide
SMILESCc1cc(-c2ccc(OCC(=O)N(C)C)c(F)c2)c(C)cc1-c1ccc(O)cc1
InChIInChI=1S/C24H24FNO3/c1-15-12-21(16(2)11-20(15)17-5-8-19(27)9-6-17)18-7-10-23(22(25)13-18)29-14-24(28)26(3)4/h5-13,27H,14H2,1-4H3
InChIKeyRKBIUAOZKFLJJM-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.95
Rot. Bonds5

About 2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide

2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 23538327) has the molecular formula C24H24FNO3 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide
PubChem CID23538327
Molecular FormulaC24H24FNO3
Molecular Weight393.46 g/mol
Exact Mass393.17
IUPAC Name2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide
SMILESCc1cc(-c2ccc(OCC(=O)N(C)C)c(F)c2)c(C)cc1-c1ccc(O)cc1
InChIInChI=1S/C24H24FNO3/c1-15-12-21(16(2)11-20(15)17-5-8-19(27)9-6-17)18-7-10-23(22(25)13-18)29-14-24(28)26(3)4/h5-13,27H,14H2,1-4H3
InChIKeyRKBIUAOZKFLJJM-UHFFFAOYSA-N
XLogP4.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
2-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-5-(4-hydroxyphenyl)-3,6-dimethylphenol
CID 23538481
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide
CID 63599530
3-[2-(dimethylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 60698832
2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone
CID 118401895
2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
CID 100814318
2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid
CID 23538369
4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol
CID 23539056
5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol
CID 23539150

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide (CID 23538327) is 2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide is Cc1cc(-c2ccc(OCC(=O)N(C)C)c(F)c2)c(C)cc1-c1ccc(O)cc1.
What is the InChIKey of 2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is RKBIUAOZKFLJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3/c1-15-12-21(16(2)11-20(15)17-5-8-19(27)9-6-17)18-7-10-23(22(25)13-18)29-14-24(28)26(3)4/h5-13,27H,14H2,1-4H3.
What are the key properties of 2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide?
2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 393.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 23538327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).