3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide

C22H20F2N2O3 — CID 55803628

IUPAC3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C22H20F2N2O3/c1-2-10-28-19-5-7-20(8-6-19)29-22-15(4-3-9-25-22)14-26-21(27)16-11-17(23)13-18(24)12-16/h3-9,11-13H,2,10,14H2,1H3,(H,26,27)
InChIKeyZVJACCJGYKBBDR-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.87
Rot. Bonds8

About 3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide

3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide (PubChem CID 55803628) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is 3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide
PubChem CID55803628
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C22H20F2N2O3/c1-2-10-28-19-5-7-20(8-6-19)29-22-15(4-3-9-25-22)14-26-21(27)16-11-17(23)13-18(24)12-16/h3-9,11-13H,2,10,14H2,1H3,(H,26,27)
InChIKeyZVJACCJGYKBBDR-UHFFFAOYSA-N
XLogP4.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate
CID 55803950
1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 55803883
1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549457
(2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide
CID 119857037
1-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethyl]cyclobutane-1-carboxylic acid
CID 120549456
2-methyl-1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110970637
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42519109
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide
CID 56750373
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111404623
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
3,5-dimethyl-4-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55803729
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide (CID 55803628) is 3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide is CCCOc1ccc(Oc2ncccc2CNC(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide?
The InChIKey is ZVJACCJGYKBBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-2-10-28-19-5-7-20(8-6-19)29-22-15(4-3-9-25-22)14-26-21(27)16-11-17(23)13-18(24)12-16/h3-9,11-13H,2,10,14H2,1H3,(H,26,27).
What are the key properties of 3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide?
3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide has a molecular weight of 398.41 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55803628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).