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

C23H22FNO3 — CID 166166988

IUPACN-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc(OC(C)C)cc3)c2O)cc1F
InChIInChI=1S/C23H22FNO3/c1-14(2)28-18-10-7-16(8-11-18)19-5-4-6-20(23(19)27)17-9-12-22(21(24)13-17)25-15(3)26/h4-14,27H,1-3H3,(H,25,26)
InChIKeyIOGHQOVGDDYNMO-UHFFFAOYSA-N
MW379.43 g/mol
LogP5.61
Rot. Bonds5

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

N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide (PubChem CID 166166988) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide
PubChem CID166166988
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC NameN-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc(OC(C)C)cc3)c2O)cc1F
InChIInChI=1S/C23H22FNO3/c1-14(2)28-18-10-7-16(8-11-18)19-5-4-6-20(23(19)27)17-9-12-22(21(24)13-17)25-15(3)26/h4-14,27H,1-3H3,(H,25,26)
InChIKeyIOGHQOVGDDYNMO-UHFFFAOYSA-N
XLogP5.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 55.61
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-(3-methoxyphenyl)phenyl]phenyl]acetamide
CID 166167308
N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide
CID 166167429
N-[2-fluoro-4-[2-hydroxy-3-[2-[(4-hydroxy-3-methylbutyl)-methylamino]-4-pyridinyl]phenyl]phenyl]acetamide
CID 171796060
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
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
N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide
CID 166167141
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119308646
N-[2-fluoro-4-[2-hydroxy-3-(4-piperazin-1-yl-2-pyridinyl)phenyl]phenyl]acetamide
CID 166165621
N-[4-[3-(2-chloro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166165946
N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166166215

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide (CID 166166988) is N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3ccc(OC(C)C)cc3)c2O)cc1F.
What is the InChIKey of N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide?
The InChIKey is IOGHQOVGDDYNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c1-14(2)28-18-10-7-16(8-11-18)19-5-4-6-20(23(19)27)17-9-12-22(21(24)13-17)25-15(3)26/h4-14,27H,1-3H3,(H,25,26).
What are the key properties of N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide?
N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide has a molecular weight of 379.43 g/mol, XLogP of 5.61, 5 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-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166166988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).