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

C19H17BrFN3O2 — CID 55594677

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C19H17BrFN3O2/c1-3-24(11-15-10-16(20)8-9-17(15)21)19(25)14-6-4-13(5-7-14)18-22-12(2)23-26-18/h4-10H,3,11H2,1-2H3
InChIKeyMUUDUDCFOUGWOP-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.61
Rot. Bonds5

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

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 55594677) has the molecular formula C19H17BrFN3O2 and a molecular weight of 418.27 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID55594677
Molecular FormulaC19H17BrFN3O2
Molecular Weight418.27 g/mol
Exact Mass417.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C19H17BrFN3O2/c1-3-24(11-15-10-16(20)8-9-17(15)21)19(25)14-6-4-13(5-7-14)18-22-12(2)23-26-18/h4-10H,3,11H2,1-2H3
InChIKeyMUUDUDCFOUGWOP-UHFFFAOYSA-N
XLogP4.61
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 55594677) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2nc(C)no2)cc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is MUUDUDCFOUGWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O2/c1-3-24(11-15-10-16(20)8-9-17(15)21)19(25)14-6-4-13(5-7-14)18-22-12(2)23-26-18/h4-10H,3,11H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 418.27 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 55594677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).