3-iodo-N-(2,4,5-trichlorophenyl)benzamide

C13H7Cl3INO — CID 3408530

IUPAC3-iodo-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(I)c1
InChIInChI=1S/C13H7Cl3INO/c14-9-5-11(16)12(6-10(9)15)18-13(19)7-2-1-3-8(17)4-7/h1-6H,(H,18,19)
InChIKeyXOCSNHJEFTWSBL-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.50
Rot. Bonds2

About 3-iodo-N-(2,4,5-trichlorophenyl)benzamide

3-iodo-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 3408530) has the molecular formula C13H7Cl3INO and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-iodo-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID3408530
Molecular FormulaC13H7Cl3INO
Molecular Weight426.47 g/mol
Exact Mass424.86
IUPAC Name3-iodo-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(I)c1
InChIInChI=1S/C13H7Cl3INO/c14-9-5-11(16)12(6-10(9)15)18-13(19)7-2-1-3-8(17)4-7/h1-6H,(H,18,19)
InChIKeyXOCSNHJEFTWSBL-UHFFFAOYSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-iodo-N-(2,4,5-trichlorophenyl)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

3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
N-(2-chloro-4-fluorophenyl)-3-iodobenzamide
CID 26364200
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide
CID 107809918
N-(2-bromo-5-chlorophenyl)-3-iodobenzamide
CID 81270343
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 121454119
2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide
CID 1097784
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
CID 17133480
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 3-iodo-N-(2,4,5-trichlorophenyl)benzamide (CID 3408530) is 3-iodo-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 3-iodo-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 3-iodo-N-(2,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is XOCSNHJEFTWSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3INO/c14-9-5-11(16)12(6-10(9)15)18-13(19)7-2-1-3-8(17)4-7/h1-6H,(H,18,19).
What are the key properties of 3-iodo-N-(2,4,5-trichlorophenyl)benzamide?
3-iodo-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 426.47 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 3408530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).