2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

C10H7BrIN3O2 — CID 106399945

IUPAC2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ncon1)c1cc(I)ccc1Br
InChIInChI=1S/C10H7BrIN3O2/c11-8-2-1-6(12)3-7(8)10(16)13-4-9-14-5-17-15-9/h1-3,5H,4H2,(H,13,16)
InChIKeyOTLKGUWUBXKYFL-UHFFFAOYSA-N
MW407.99 g/mol
LogP2.37
Rot. Bonds3

About 2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (PubChem CID 106399945) has the molecular formula C10H7BrIN3O2 and a molecular weight of 407.99 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
PubChem CID106399945
Molecular FormulaC10H7BrIN3O2
Molecular Weight407.99 g/mol
Exact Mass406.88
IUPAC Name2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ncon1)c1cc(I)ccc1Br
InChIInChI=1S/C10H7BrIN3O2/c11-8-2-1-6(12)3-7(8)10(16)13-4-9-14-5-17-15-9/h1-3,5H,4H2,(H,13,16)
InChIKeyOTLKGUWUBXKYFL-UHFFFAOYSA-N
XLogP2.37
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-5-sulfanylbenzamide
CID 106410082
5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399961
2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 103996029
2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103773544
2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065
2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 113362963
5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106399959
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185135
2-bromo-5-iodobenzohydrazide
CID 3623021
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
2-bromo-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113363237

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The IUPAC name of 2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (CID 106399945) is 2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is O=C(NCc1ncon1)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The InChIKey is OTLKGUWUBXKYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrIN3O2/c11-8-2-1-6(12)3-7(8)10(16)13-4-9-14-5-17-15-9/h1-3,5H,4H2,(H,13,16).
What are the key properties of 2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide has a molecular weight of 407.99 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is sourced from PubChem (CID 106399945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).