N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide

C22H18FNO3 — CID 2428269

IUPACN-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H18FNO3/c1-15(25)17-5-4-6-19(13-17)24-22(26)20-7-2-3-8-21(20)27-14-16-9-11-18(23)12-10-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyMULZQSPYFRQUOV-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.86
Rot. Bonds6

About N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide

N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 2428269) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID2428269
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC NameN-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H18FNO3/c1-15(25)17-5-4-6-19(13-17)24-22(26)20-7-2-3-8-21(20)27-14-16-9-11-18(23)12-10-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyMULZQSPYFRQUOV-UHFFFAOYSA-N
XLogP4.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide (CID 2428269) is N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide is CC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is MULZQSPYFRQUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c1-15(25)17-5-4-6-19(13-17)24-22(26)20-7-2-3-8-21(20)27-14-16-9-11-18(23)12-10-16/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide?
N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 363.39 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 2428269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).