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

C11H11BrN4O2 — CID 114182830

IUPAC3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESNc1cc(Br)cc(C(=O)NCCc2ncon2)c1
InChIInChI=1S/C11H11BrN4O2/c12-8-3-7(4-9(13)5-8)11(17)14-2-1-10-15-6-18-16-10/h3-6H,1-2,13H2,(H,14,17)
InChIKeyYYZICVKWFIFWEB-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.39
Rot. Bonds4

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

3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 114182830) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID114182830
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESNc1cc(Br)cc(C(=O)NCCc2ncon2)c1
InChIInChI=1S/C11H11BrN4O2/c12-8-3-7(4-9(13)5-8)11(17)14-2-1-10-15-6-18-16-10/h3-6H,1-2,13H2,(H,14,17)
InChIKeyYYZICVKWFIFWEB-UHFFFAOYSA-N
XLogP1.39
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182827
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106397697
4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182826
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 106408880
3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106391732
3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 106410237
4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106391701
3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106409151
3-amino-5-bromo-N-(4-hydroxybutyl)benzamide
CID 106840118
2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103773544
5-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106406192

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 114182830) is 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is Nc1cc(Br)cc(C(=O)NCCc2ncon2)c1.
What is the InChIKey of 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is YYZICVKWFIFWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c12-8-3-7(4-9(13)5-8)11(17)14-2-1-10-15-6-18-16-10/h3-6H,1-2,13H2,(H,14,17).
What are the key properties of 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 311.14 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 114182830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).