2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide

C23H16BrClFN3O3 — CID 154811264

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
SMILESCC(Oc1ccc(Br)cc1F)C(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H16BrClFN3O3/c1-13(31-20-11-8-15(24)12-18(20)26)22(30)27-19-5-3-2-4-17(19)23-28-21(29-32-23)14-6-9-16(25)10-7-14/h2-13H,1H3,(H,27,30)
InChIKeyBIWSLMVRZCYISM-UHFFFAOYSA-N
MW516.75 g/mol
LogP6.36
Rot. Bonds6

About 2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide

2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide (PubChem CID 154811264) has the molecular formula C23H16BrClFN3O3 and a molecular weight of 516.75 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
PubChem CID154811264
Molecular FormulaC23H16BrClFN3O3
Molecular Weight516.75 g/mol
Exact Mass515.00
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
SMILESCC(Oc1ccc(Br)cc1F)C(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H16BrClFN3O3/c1-13(31-20-11-8-15(24)12-18(20)26)22(30)27-19-5-3-2-4-17(19)23-28-21(29-32-23)14-6-9-16(25)10-7-14/h2-13H,1H3,(H,27,30)
InChIKeyBIWSLMVRZCYISM-UHFFFAOYSA-N
XLogP6.36
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.75
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866682
(2R)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866676
(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866674
(2S)-2-(4-fluorophenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866757
(2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 8730300
2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50754153
2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866411
(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide
CID 35042818
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 2797889
2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 121148583
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451
2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866769

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide (CID 154811264) is 2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide is CC(Oc1ccc(Br)cc1F)C(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The InChIKey is BIWSLMVRZCYISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrClFN3O3/c1-13(31-20-11-8-15(24)12-18(20)26)22(30)27-19-5-3-2-4-17(19)23-28-21(29-32-23)14-6-9-16(25)10-7-14/h2-13H,1H3,(H,27,30).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide has a molecular weight of 516.75 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 154811264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).