3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide

C20H16FNO3 — CID 46873520

IUPAC3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)N(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H16FNO3/c1-13-18(3-2-4-19(13)21)20(25)22(14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3
InChIKeyZPPUSBOBVYSMNZ-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.52
Rot. Bonds3

About 3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide

3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide (PubChem CID 46873520) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide
PubChem CID46873520
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)N(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H16FNO3/c1-13-18(3-2-4-19(13)21)20(25)22(14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3
InChIKeyZPPUSBOBVYSMNZ-UHFFFAOYSA-N
XLogP4.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide?
The IUPAC name of 3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide (CID 46873520) is 3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide?
The canonical SMILES for 3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide is Cc1c(F)cccc1C(=O)N(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide?
The InChIKey is ZPPUSBOBVYSMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-13-18(3-2-4-19(13)21)20(25)22(14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3.
What are the key properties of 3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide?
3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide has a molecular weight of 337.35 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-bis(4-hydroxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 46873520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).