N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide

C10H8ClIN4O — CID 9419493

IUPACN-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cnc(I)n1)Nc1ccccc1Cl
InChIInChI=1S/C10H8ClIN4O/c11-7-3-1-2-4-8(7)14-9(17)5-16-6-13-10(12)15-16/h1-4,6H,5H2,(H,14,17)
InChIKeyYFTPEPFUUSQEBT-UHFFFAOYSA-N
MW362.56 g/mol
LogP2.17
Rot. Bonds3

About N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide

N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide (PubChem CID 9419493) has the molecular formula C10H8ClIN4O and a molecular weight of 362.56 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
PubChem CID9419493
Molecular FormulaC10H8ClIN4O
Molecular Weight362.56 g/mol
Exact Mass361.94
IUPAC NameN-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cnc(I)n1)Nc1ccccc1Cl
InChIInChI=1S/C10H8ClIN4O/c11-7-3-1-2-4-8(7)14-9(17)5-16-6-13-10(12)15-16/h1-4,6H,5H2,(H,14,17)
InChIKeyYFTPEPFUUSQEBT-UHFFFAOYSA-N
XLogP2.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)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-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103477123
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 114583560
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide
CID 136530728
N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide
CID 106716721
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
N-(3,4-dimethylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
CID 9404002
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609
N-(2-chlorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774389

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide (CID 9419493) is N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide is O=C(Cn1cnc(I)n1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is YFTPEPFUUSQEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIN4O/c11-7-3-1-2-4-8(7)14-9(17)5-16-6-13-10(12)15-16/h1-4,6H,5H2,(H,14,17).
What are the key properties of N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide?
N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 362.56 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 9419493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).