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

C18H15BrFN3O3 — CID 46592597

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)NCc3cc(Br)ccc3F)cc2)no1
InChIInChI=1S/C18H15BrFN3O3/c1-11-22-17(23-26-11)10-25-15-5-2-12(3-6-15)18(24)21-9-13-8-14(19)4-7-16(13)20/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyDFZCZAPAGBFLPI-UHFFFAOYSA-N
MW420.24 g/mol
LogP3.79
Rot. Bonds6

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

N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 46592597) has the molecular formula C18H15BrFN3O3 and a molecular weight of 420.24 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID46592597
Molecular FormulaC18H15BrFN3O3
Molecular Weight420.24 g/mol
Exact Mass419.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)NCc3cc(Br)ccc3F)cc2)no1
InChIInChI=1S/C18H15BrFN3O3/c1-11-22-17(23-26-11)10-25-15-5-2-12(3-6-15)18(24)21-9-13-8-14(19)4-7-16(13)20/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyDFZCZAPAGBFLPI-UHFFFAOYSA-N
XLogP3.79
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 166391428
N-[(2S)-3-methylbutan-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 25362920
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 56551658
N-[(1S)-1-cyclopropylethyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 32893352
benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate
CID 55473566
N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55908467
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55712910
3-[2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 166425113
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55637352
N-(2,5-dimethoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 51309899

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 46592597) is N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccc(C(=O)NCc3cc(Br)ccc3F)cc2)no1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is DFZCZAPAGBFLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O3/c1-11-22-17(23-26-11)10-25-15-5-2-12(3-6-15)18(24)21-9-13-8-14(19)4-7-16(13)20/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 420.24 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 46592597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).