2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide

C23H21F2N3O3 — CID 46470248

IUPAC2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C23H21F2N3O3/c24-17-7-8-20(21(25)13-17)23(30)27-11-9-22(29)28-14-16-4-3-6-19(12-16)31-15-18-5-1-2-10-26-18/h1-8,10,12-13H,9,11,14-15H2,(H,27,30)(H,28,29)
InChIKeyLYXFYMDUHJXKCU-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.38
Rot. Bonds9

About 2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide

2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide (PubChem CID 46470248) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide
PubChem CID46470248
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C23H21F2N3O3/c24-17-7-8-20(21(25)13-17)23(30)27-11-9-22(29)28-14-16-4-3-6-19(12-16)31-15-18-5-1-2-10-26-18/h1-8,10,12-13H,9,11,14-15H2,(H,27,30)(H,28,29)
InChIKeyLYXFYMDUHJXKCU-UHFFFAOYSA-N
XLogP3.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46477862
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 55709444
(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 98796519
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 18168568
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
2-(2-chlorophenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46590568
2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 24598993

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide (CID 46470248) is 2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1F)NCc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide?
The InChIKey is LYXFYMDUHJXKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c24-17-7-8-20(21(25)13-17)23(30)27-11-9-22(29)28-14-16-4-3-6-19(12-16)31-15-18-5-1-2-10-26-18/h1-8,10,12-13H,9,11,14-15H2,(H,27,30)(H,28,29).
What are the key properties of 2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide?
2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide has a molecular weight of 425.44 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide is sourced from PubChem (CID 46470248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).