2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide

C15H11IN6O3 — CID 55882840

IUPAC2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1
InChIInChI=1S/C15H11IN6O3/c1-9-18-19-20-21(9)11-4-2-3-10(7-11)17-15(23)13-8-12(22(24)25)5-6-14(13)16/h2-8H,1H3,(H,17,23)
InChIKeyHIBMNEUMBCZZJG-UHFFFAOYSA-N
MW450.20 g/mol
LogP2.74
Rot. Bonds4

About 2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide

2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide (PubChem CID 55882840) has the molecular formula C15H11IN6O3 and a molecular weight of 450.20 g/mol. Its IUPAC name is 2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide
PubChem CID55882840
Molecular FormulaC15H11IN6O3
Molecular Weight450.20 g/mol
Exact Mass449.99
IUPAC Name2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1
InChIInChI=1S/C15H11IN6O3/c1-9-18-19-20-21(9)11-4-2-3-10(7-11)17-15(23)13-8-12(22(24)25)5-6-14(13)16/h2-8H,1H3,(H,17,23)
InChIKeyHIBMNEUMBCZZJG-UHFFFAOYSA-N
XLogP2.74
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
CID 131889333
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]quinoline-4-carboxamide
CID 46468871
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579582
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
CID 131894718
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 55676186
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide?
The IUPAC name of 2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide (CID 55882840) is 2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide.
What is the SMILES notation for 2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide?
The canonical SMILES for 2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide is Cc1nnnn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1.
What is the InChIKey of 2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide?
The InChIKey is HIBMNEUMBCZZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN6O3/c1-9-18-19-20-21(9)11-4-2-3-10(7-11)17-15(23)13-8-12(22(24)25)5-6-14(13)16/h2-8H,1H3,(H,17,23).
What are the key properties of 2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide?
2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide has a molecular weight of 450.20 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide is sourced from PubChem (CID 55882840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).