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

C22H15BrFN3O3 — CID 25238419

IUPACN-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
SMILESO=C(Nc1ccc(F)cc1Br)c1ccccc1OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C22H15BrFN3O3/c23-17-12-15(24)10-11-18(17)25-22(28)16-8-4-5-9-19(16)29-13-20-26-21(27-30-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,28)
InChIKeyYYDINHAZYDEXRW-UHFFFAOYSA-N
MW468.28 g/mol
LogP5.47
Rot. Bonds6

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

N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide (PubChem CID 25238419) has the molecular formula C22H15BrFN3O3 and a molecular weight of 468.28 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
PubChem CID25238419
Molecular FormulaC22H15BrFN3O3
Molecular Weight468.28 g/mol
Exact Mass467.03
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
SMILESO=C(Nc1ccc(F)cc1Br)c1ccccc1OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C22H15BrFN3O3/c23-17-12-15(24)10-11-18(17)25-22(28)16-8-4-5-9-19(16)29-13-20-26-21(27-30-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,28)
InChIKeyYYDINHAZYDEXRW-UHFFFAOYSA-N
XLogP5.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.28
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide
CID 27876772
N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238106
N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267112
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237851
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267111
1-[2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-5-fluorophenyl]ethanone
CID 112797296
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 9353549
methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
CID 91991140
N-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 18099530

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide (CID 25238419) is N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide is O=C(Nc1ccc(F)cc1Br)c1ccccc1OCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The InChIKey is YYDINHAZYDEXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrFN3O3/c23-17-12-15(24)10-11-18(17)25-22(28)16-8-4-5-9-19(16)29-13-20-26-21(27-30-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,28).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide has a molecular weight of 468.28 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 25238419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).