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

C11H11BrN4O2 — CID 114184224

IUPAC2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESNc1ccc(Br)cc1C(=O)NCCc1ncno1
InChIInChI=1S/C11H11BrN4O2/c12-7-1-2-9(13)8(5-7)11(17)14-4-3-10-15-6-16-18-10/h1-2,5-6H,3-4,13H2,(H,14,17)
InChIKeyIWMVCXKOXVVWKK-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.39
Rot. Bonds4

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

2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 114184224) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID114184224
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESNc1ccc(Br)cc1C(=O)NCCc1ncno1
InChIInChI=1S/C11H11BrN4O2/c12-7-1-2-9(13)8(5-7)11(17)14-4-3-10-15-6-16-18-10/h1-2,5-6H,3-4,13H2,(H,14,17)
InChIKeyIWMVCXKOXVVWKK-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

5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103744021
2-amino-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391609
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391581
2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106409327
5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 106391489
2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103890610
2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate
CID 83203569
4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103799885
2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 103765613
4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103743986
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 114184224) is 2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is Nc1ccc(Br)cc1C(=O)NCCc1ncno1.
What is the InChIKey of 2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is IWMVCXKOXVVWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c12-7-1-2-9(13)8(5-7)11(17)14-4-3-10-15-6-16-18-10/h1-2,5-6H,3-4,13H2,(H,14,17).
What are the key properties of 2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-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 2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 114184224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).