2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide

C9H8BrN5O — CID 63681198

IUPAC2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CBr)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C9H8BrN5O/c10-5-9(16)12-7-2-1-3-8(4-7)15-6-11-13-14-15/h1-4,6H,5H2,(H,12,16)
InChIKeyRJARBJZVLYWCFJ-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.00
Rot. Bonds3

About 2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide

2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 63681198) has the molecular formula C9H8BrN5O and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
PubChem CID63681198
Molecular FormulaC9H8BrN5O
Molecular Weight282.10 g/mol
Exact Mass280.99
IUPAC Name2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CBr)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C9H8BrN5O/c10-5-9(16)12-7-2-1-3-8(4-7)15-6-11-13-14-15/h1-4,6H,5H2,(H,12,16)
InChIKeyRJARBJZVLYWCFJ-UHFFFAOYSA-N
XLogP1.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide 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-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
CID 82012333
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide
CID 25344863
4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 34549027
2-(2-chlorophenoxy)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8753073
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide (CID 63681198) is 2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide is O=C(CBr)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is RJARBJZVLYWCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O/c10-5-9(16)12-7-2-1-3-8(4-7)15-6-11-13-14-15/h1-4,6H,5H2,(H,12,16).
What are the key properties of 2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide?
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 282.10 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 63681198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).