N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide

C21H19FN2O4 — CID 118708515

IUPACN-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(-c3cccnc3)cc2F)c(OC)c1
InChIInChI=1S/C21H19FN2O4/c1-26-15-10-18(27-2)20(19(11-15)28-3)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)
InChIKeyKZIMTHXEZLWUNM-UHFFFAOYSA-N
MW382.39 g/mol
LogP4.17
Rot. Bonds6

About N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide

N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide (PubChem CID 118708515) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide
PubChem CID118708515
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(-c3cccnc3)cc2F)c(OC)c1
InChIInChI=1S/C21H19FN2O4/c1-26-15-10-18(27-2)20(19(11-15)28-3)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)
InChIKeyKZIMTHXEZLWUNM-UHFFFAOYSA-N
XLogP4.17
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide?
The IUPAC name of N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide (CID 118708515) is N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide.
What is the SMILES notation for N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide?
The canonical SMILES for N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2ccc(-c3cccnc3)cc2F)c(OC)c1.
What is the InChIKey of N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide?
The InChIKey is KZIMTHXEZLWUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-26-15-10-18(27-2)20(19(11-15)28-3)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25).
What are the key properties of N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide?
N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide has a molecular weight of 382.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,6-trimethoxybenzamide is sourced from PubChem (CID 118708515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).