4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide

C19H14F2N2O2 — CID 122186028

IUPAC4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C19H14F2N2O2/c1-22-19(25)12-4-2-11(3-5-12)14-6-7-23-10-15(14)13-8-16(20)18(24)17(21)9-13/h2-10,24H,1H3,(H,22,25)
InChIKeyRTECQFROUMPSQG-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.76
Rot. Bonds3

About 4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide

4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide (PubChem CID 122186028) has the molecular formula C19H14F2N2O2 and a molecular weight of 340.33 g/mol. Its IUPAC name is 4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide
PubChem CID122186028
Molecular FormulaC19H14F2N2O2
Molecular Weight340.33 g/mol
Exact Mass340.10
IUPAC Name4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C19H14F2N2O2/c1-22-19(25)12-4-2-11(3-5-12)14-6-7-23-10-15(14)13-8-16(20)18(24)17(21)9-13/h2-10,24H,1H3,(H,22,25)
InChIKeyRTECQFROUMPSQG-UHFFFAOYSA-N
XLogP3.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide?
The IUPAC name of 4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide (CID 122186028) is 4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cc1.
What is the InChIKey of 4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide?
The InChIKey is RTECQFROUMPSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2/c1-22-19(25)12-4-2-11(3-5-12)14-6-7-23-10-15(14)13-8-16(20)18(24)17(21)9-13/h2-10,24H,1H3,(H,22,25).
What are the key properties of 4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide?
4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide has a molecular weight of 340.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 122186028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).