N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide

C14H9BrIN5O — CID 155194195

IUPACN-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1ccc(I)cc1Br)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H9BrIN5O/c15-11-7-10(16)5-6-12(11)17-14(22)9-3-1-8(2-4-9)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21)
InChIKeyIERJKRFTAVAWMH-UHFFFAOYSA-N
MW470.07 g/mol
LogP3.49
Rot. Bonds3

About N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide

N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 155194195) has the molecular formula C14H9BrIN5O and a molecular weight of 470.07 g/mol. Its IUPAC name is N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID155194195
Molecular FormulaC14H9BrIN5O
Molecular Weight470.07 g/mol
Exact Mass468.90
IUPAC NameN-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1ccc(I)cc1Br)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H9BrIN5O/c15-11-7-10(16)5-6-12(11)17-14(22)9-3-1-8(2-4-9)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21)
InChIKeyIERJKRFTAVAWMH-UHFFFAOYSA-N
XLogP3.49
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.07
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
N-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541019
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide
CID 114259076
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-ethoxy-4-(2H-tetrazol-5-yl)benzamide
CID 60717193
2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 61261161
N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110743272
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
CID 114259017
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
CID 107789533

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide (CID 155194195) is N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide is O=C(Nc1ccc(I)cc1Br)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is IERJKRFTAVAWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrIN5O/c15-11-7-10(16)5-6-12(11)17-14(22)9-3-1-8(2-4-9)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21).
What are the key properties of N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide?
N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 470.07 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 155194195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).