N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide

C24H19FN4O4 — CID 55886689

IUPACN-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)cc2)no1
InChIInChI=1S/C24H19FN4O4/c1-15-26-22(29-33-15)14-32-21-10-8-16(9-11-21)23(30)27-19-6-2-4-17(12-19)24(31)28-20-7-3-5-18(25)13-20/h2-13H,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyPXMJYFYDHXSFNM-UHFFFAOYSA-N
MW446.44 g/mol
LogP4.60
Rot. Bonds7

About N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide

N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide (PubChem CID 55886689) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
PubChem CID55886689
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC NameN-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)cc2)no1
InChIInChI=1S/C24H19FN4O4/c1-15-26-22(29-33-15)14-32-21-10-8-16(9-11-21)23(30)27-19-6-2-4-17(12-19)24(31)28-20-7-3-5-18(25)13-20/h2-13H,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyPXMJYFYDHXSFNM-UHFFFAOYSA-N
XLogP4.60
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide?
The IUPAC name of N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide (CID 55886689) is N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide is Cc1nc(COc2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)cc2)no1.
What is the InChIKey of N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide?
The InChIKey is PXMJYFYDHXSFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c1-15-26-22(29-33-15)14-32-21-10-8-16(9-11-21)23(30)27-19-6-2-4-17(12-19)24(31)28-20-7-3-5-18(25)13-20/h2-13H,14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide?
N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide has a molecular weight of 446.44 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide is sourced from PubChem (CID 55886689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).