3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

C10H8ClIN4O — CID 103736115

IUPAC3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(I)c(Cl)c2)n[nH]1
InChIInChI=1S/C10H8ClIN4O/c1-5-13-10(16-15-5)14-9(17)6-2-3-8(12)7(11)4-6/h2-4H,1H3,(H2,13,14,15,16,17)
InChIKeyNZVTXKOHNGPHRH-UHFFFAOYSA-N
MW362.56 g/mol
LogP2.62
Rot. Bonds2

About 3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 103736115) has the molecular formula C10H8ClIN4O and a molecular weight of 362.56 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID103736115
Molecular FormulaC10H8ClIN4O
Molecular Weight362.56 g/mol
Exact Mass361.94
IUPAC Name3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(I)c(Cl)c2)n[nH]1
InChIInChI=1S/C10H8ClIN4O/c1-5-13-10(16-15-5)14-9(17)6-2-3-8(12)7(11)4-6/h2-4H,1H3,(H2,13,14,15,16,17)
InChIKeyNZVTXKOHNGPHRH-UHFFFAOYSA-N
XLogP2.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 52.62
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-chloro-3-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927700
4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 112705907
4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928138
3-chloro-4,5-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927573
4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103779385
3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide
CID 113253959
3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928120
3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 79673258
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
4-(bromomethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 102851939
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 103736115) is 3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(NC(=O)c2ccc(I)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is NZVTXKOHNGPHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIN4O/c1-5-13-10(16-15-5)14-9(17)6-2-3-8(12)7(11)4-6/h2-4H,1H3,(H2,13,14,15,16,17).
What are the key properties of 3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 362.56 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 103736115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).