4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide

C20H16FNO2 — CID 126612026

IUPAC4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(-c2ccc(C(N)=O)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H16FNO2/c1-24-19-11-8-16(13-2-4-15(5-3-13)20(22)23)12-18(19)14-6-9-17(21)10-7-14/h2-12H,1H3,(H2,22,23)
InChIKeyHAHLVUNKJAQBPB-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.27
Rot. Bonds4

About 4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide

4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide (PubChem CID 126612026) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide
PubChem CID126612026
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(-c2ccc(C(N)=O)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H16FNO2/c1-24-19-11-8-16(13-2-4-15(5-3-13)20(22)23)12-18(19)14-6-9-17(21)10-7-14/h2-12H,1H3,(H2,22,23)
InChIKeyHAHLVUNKJAQBPB-UHFFFAOYSA-N
XLogP4.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide (CID 126612026) is 4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide is COc1ccc(-c2ccc(C(N)=O)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide?
The InChIKey is HAHLVUNKJAQBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c1-24-19-11-8-16(13-2-4-15(5-3-13)20(22)23)12-18(19)14-6-9-17(21)10-7-14/h2-12H,1H3,(H2,22,23).
What are the key properties of 4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide?
4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide has a molecular weight of 321.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-4-methoxyphenyl]benzamide is sourced from PubChem (CID 126612026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).