N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide

C21H19FN2O4 — CID 102340685

IUPACN-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3cccnc3)cc2F)cc(OC)c1OC
InChIInChI=1S/C21H19FN2O4/c1-26-18-10-15(11-19(27-2)20(18)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)
InChIKeyFMGMPJRXARXLIY-UHFFFAOYSA-N
MW382.39 g/mol
LogP4.17
Rot. Bonds6

About N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide

N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 102340685) 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)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID102340685
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3cccnc3)cc2F)cc(OC)c1OC
InChIInChI=1S/C21H19FN2O4/c1-26-18-10-15(11-19(27-2)20(18)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)
InChIKeyFMGMPJRXARXLIY-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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Related Compounds

N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 118708526
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide
CID 4552214
N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
3,4,5-trimethoxy-N-[2-nitro-4-(3,4,5-trimethoxyphenyl)phenyl]benzamide
CID 56945197
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide (CID 102340685) is N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(-c3cccnc3)cc2F)cc(OC)c1OC.
What is the InChIKey of N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is FMGMPJRXARXLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-26-18-10-15(11-19(27-2)20(18)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)-3,4,5-trimethoxybenzamide?
N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-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)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 102340685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).