4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide

C21H15IN4O — CID 56684744

IUPAC4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc(I)cc1
InChIInChI=1S/C21H15IN4O/c22-16-12-10-15(11-13-16)21(27)23-18-9-5-4-8-17(18)20-24-19(25-26-20)14-6-2-1-3-7-14/h1-13H,(H,23,27)(H,24,25,26)
InChIKeyRVHITMIMDQPKNL-UHFFFAOYSA-N
MW466.28 g/mol
LogP5.00
Rot. Bonds4

About 4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide

4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide (PubChem CID 56684744) has the molecular formula C21H15IN4O and a molecular weight of 466.28 g/mol. Its IUPAC name is 4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
PubChem CID56684744
Molecular FormulaC21H15IN4O
Molecular Weight466.28 g/mol
Exact Mass466.03
IUPAC Name4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc(I)cc1
InChIInChI=1S/C21H15IN4O/c22-16-12-10-15(11-13-16)21(27)23-18-9-5-4-8-17(18)20-24-19(25-26-20)14-6-2-1-3-7-14/h1-13H,(H,23,27)(H,24,25,26)
InChIKeyRVHITMIMDQPKNL-UHFFFAOYSA-N
XLogP5.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.28
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 55991805
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55991421
N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide
CID 55990783
3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide
CID 55833867
N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
CID 118529738
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354389
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide
CID 55991423
5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 55991299
5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55990155
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119295911
2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 55990529
3-nitro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 55833737

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide (CID 56684744) is 4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The InChIKey is RVHITMIMDQPKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15IN4O/c22-16-12-10-15(11-13-16)21(27)23-18-9-5-4-8-17(18)20-24-19(25-26-20)14-6-2-1-3-7-14/h1-13H,(H,23,27)(H,24,25,26).
What are the key properties of 4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide has a molecular weight of 466.28 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 56684744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).