3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide

C10H7Cl2IN4O2 — CID 83101239

IUPAC3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1n[nH]c(NC(=O)c2cc(Cl)cc(Cl)c2I)n1
InChIInChI=1S/C10H7Cl2IN4O2/c1-19-10-15-9(16-17-10)14-8(18)5-2-4(11)3-6(12)7(5)13/h2-3H,1H3,(H2,14,15,16,17,18)
InChIKeyFSTOFEDYWUNSIW-UHFFFAOYSA-N
MW413.00 g/mol
LogP2.98
Rot. Bonds3

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

3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 83101239) has the molecular formula C10H7Cl2IN4O2 and a molecular weight of 413.00 g/mol. Its IUPAC name is 3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID83101239
Molecular FormulaC10H7Cl2IN4O2
Molecular Weight413.00 g/mol
Exact Mass411.90
IUPAC Name3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1n[nH]c(NC(=O)c2cc(Cl)cc(Cl)c2I)n1
InChIInChI=1S/C10H7Cl2IN4O2/c1-19-10-15-9(16-17-10)14-8(18)5-2-4(11)3-6(12)7(5)13/h2-3H,1H3,(H2,14,15,16,17,18)
InChIKeyFSTOFEDYWUNSIW-UHFFFAOYSA-N
XLogP2.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.00
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide 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-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
CID 106688417
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-nitrobenzamide
CID 83086436
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 83093523
2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 107724991
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide
CID 83092656
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-iodo-2-methoxybenzamide
CID 104817412
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83101088
4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 112631345
4-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-methylsulfonylbenzamide
CID 83097545
3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 83101038
3-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-nitrobenzamide
CID 103947347

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (CID 83101239) is 3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is COc1n[nH]c(NC(=O)c2cc(Cl)cc(Cl)c2I)n1.
What is the InChIKey of 3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is FSTOFEDYWUNSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2IN4O2/c1-19-10-15-9(16-17-10)14-8(18)5-2-4(11)3-6(12)7(5)13/h2-3H,1H3,(H2,14,15,16,17,18).
What are the key properties of 3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 413.00 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 83101239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).