N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide

C21H16FNO3 — CID 902794

IUPACN-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide
SMILESO=C(COc1cccc(NC(=O)c2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H16FNO3/c22-17-11-9-15(10-12-17)20(24)14-26-19-8-4-7-18(13-19)23-21(25)16-5-2-1-3-6-16/h1-13H,14H2,(H,23,25)
InChIKeyKWHAXEQFEJTDSJ-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.34
Rot. Bonds6

About N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide

N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide (PubChem CID 902794) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide
PubChem CID902794
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC NameN-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide
SMILESO=C(COc1cccc(NC(=O)c2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H16FNO3/c22-17-11-9-15(10-12-17)20(24)14-26-19-8-4-7-18(13-19)23-21(25)16-5-2-1-3-6-16/h1-13H,14H2,(H,23,25)
InChIKeyKWHAXEQFEJTDSJ-UHFFFAOYSA-N
XLogP4.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide (CID 902794) is N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide is O=C(COc1cccc(NC(=O)c2ccccc2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is KWHAXEQFEJTDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-17-11-9-15(10-12-17)20(24)14-26-19-8-4-7-18(13-19)23-21(25)16-5-2-1-3-6-16/h1-13H,14H2,(H,23,25).
What are the key properties of N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide?
N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 349.36 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 902794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).