3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide

C21H18FNO2 — CID 122555495

IUPAC3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide
SMILESNC(=O)CCc1ccccc1-c1ccc(-c2ccccc2)c(O)c1F
InChIInChI=1S/C21H18FNO2/c22-20-18(16-9-5-4-8-15(16)10-13-19(23)24)12-11-17(21(20)25)14-6-2-1-3-7-14/h1-9,11-12,25H,10,13H2,(H2,23,24)
InChIKeyMWKSBHQTNGZPDH-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.28
Rot. Bonds5

About 3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide

3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide (PubChem CID 122555495) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide
PubChem CID122555495
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide
SMILESNC(=O)CCc1ccccc1-c1ccc(-c2ccccc2)c(O)c1F
InChIInChI=1S/C21H18FNO2/c22-20-18(16-9-5-4-8-15(16)10-13-19(23)24)12-11-17(21(20)25)14-6-2-1-3-7-14/h1-9,11-12,25H,10,13H2,(H2,23,24)
InChIKeyMWKSBHQTNGZPDH-UHFFFAOYSA-N
XLogP4.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide?
The IUPAC name of 3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide (CID 122555495) is 3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide?
The canonical SMILES for 3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide is NC(=O)CCc1ccccc1-c1ccc(-c2ccccc2)c(O)c1F.
What is the InChIKey of 3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide?
The InChIKey is MWKSBHQTNGZPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c22-20-18(16-9-5-4-8-15(16)10-13-19(23)24)12-11-17(21(20)25)14-6-2-1-3-7-14/h1-9,11-12,25H,10,13H2,(H2,23,24).
What are the key properties of 3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide?
3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide has a molecular weight of 335.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide is sourced from PubChem (CID 122555495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).