N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide

C24H19BrFN3O2 — CID 83290296

IUPACN-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
SMILESO=C(c1cccc(F)c1)N(CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccccc1
InChIInChI=1S/C24H19BrFN3O2/c25-20-11-9-18(10-12-20)23-27-22(31-28-23)13-14-29(16-17-5-2-1-3-6-17)24(30)19-7-4-8-21(26)15-19/h1-12,15H,13-14,16H2
InChIKeyXZTALIIZADDIKV-UHFFFAOYSA-N
MW480.34 g/mol
LogP5.52
Rot. Bonds7

About N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide

N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide (PubChem CID 83290296) has the molecular formula C24H19BrFN3O2 and a molecular weight of 480.34 g/mol. Its IUPAC name is N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
PubChem CID83290296
Molecular FormulaC24H19BrFN3O2
Molecular Weight480.34 g/mol
Exact Mass479.06
IUPAC NameN-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
SMILESO=C(c1cccc(F)c1)N(CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccccc1
InChIInChI=1S/C24H19BrFN3O2/c25-20-11-9-18(10-12-20)23-27-22(31-28-23)13-14-29(16-17-5-2-1-3-6-17)24(30)19-7-4-8-21(26)15-19/h1-12,15H,13-14,16H2
InChIKeyXZTALIIZADDIKV-UHFFFAOYSA-N
XLogP5.52
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.34
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
CID 83283231
3-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 83285272
3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide
CID 83281960
N,N-dibenzyl-3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100759699
N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288859
N-benzyl-2-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83290453
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 83277431
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-benzyl-4-(trifluoromethyl)benzamide
CID 83290392
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 83289198
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-butylfuran-2-carboxamide
CID 83273296
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 42797806

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide?
The IUPAC name of N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide (CID 83290296) is N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide is O=C(c1cccc(F)c1)N(CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide?
The InChIKey is XZTALIIZADDIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrFN3O2/c25-20-11-9-18(10-12-20)23-27-22(31-28-23)13-14-29(16-17-5-2-1-3-6-17)24(30)19-7-4-8-21(26)15-19/h1-12,15H,13-14,16H2.
What are the key properties of N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide?
N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide has a molecular weight of 480.34 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 83290296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).