N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide

C21H18FNO3 — CID 166167308

IUPACN-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide
SMILESCOc1cccc(-c2cccc(-c3ccc(NC(C)=O)c(F)c3)c2O)c1
InChIInChI=1S/C21H18FNO3/c1-13(24)23-20-10-9-15(12-19(20)22)18-8-4-7-17(21(18)25)14-5-3-6-16(11-14)26-2/h3-12,25H,1-2H3,(H,23,24)
InChIKeyCABHSQBAXRFXGB-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.83
Rot. Bonds4

About N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide

N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide (PubChem CID 166167308) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide
PubChem CID166167308
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC NameN-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide
SMILESCOc1cccc(-c2cccc(-c3ccc(NC(C)=O)c(F)c3)c2O)c1
InChIInChI=1S/C21H18FNO3/c1-13(24)23-20-10-9-15(12-19(20)22)18-8-4-7-17(21(18)25)14-5-3-6-16(11-14)26-2/h3-12,25H,1-2H3,(H,23,24)
InChIKeyCABHSQBAXRFXGB-UHFFFAOYSA-N
XLogP4.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166166783
N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide
CID 166166988
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166165723
N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide
CID 166167429
1-[2-fluoro-6-(3-methoxyphenyl)phenyl]ethanone
CID 175686725
calcium;bis(2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylate);hydrate
CID 164512938
N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166166934
N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide
CID 166166341
[2-[[2-fluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carbonyl] 2-[[2-methoxy-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylate
CID 87662420
N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide
CID 166167141
N-[4-[3-[3-[(2S)-2-ethylpiperazin-1-yl]phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 174259409

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide (CID 166167308) is N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide is COc1cccc(-c2cccc(-c3ccc(NC(C)=O)c(F)c3)c2O)c1.
What is the InChIKey of N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide?
The InChIKey is CABHSQBAXRFXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-13(24)23-20-10-9-15(12-19(20)22)18-8-4-7-17(21(18)25)14-5-3-6-16(11-14)26-2/h3-12,25H,1-2H3,(H,23,24).
What are the key properties of N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide?
N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide has a molecular weight of 351.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166167308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).