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

C13H6Cl4INO — CID 103220934

IUPAC3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H6Cl4INO/c14-7-4-10(17)12(5-8(7)15)19-13(20)6-1-2-11(18)9(16)3-6/h1-5H,(H,19,20)
InChIKeyPOQMDAIGRZVHBP-UHFFFAOYSA-N
MW460.91 g/mol
LogP6.16
Rot. Bonds2

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

3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 103220934) has the molecular formula C13H6Cl4INO and a molecular weight of 460.91 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID103220934
Molecular FormulaC13H6Cl4INO
Molecular Weight460.91 g/mol
Exact Mass458.82
IUPAC Name3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H6Cl4INO/c14-7-4-10(17)12(5-8(7)15)19-13(20)6-1-2-11(18)9(16)3-6/h1-5H,(H,19,20)
InChIKeyPOQMDAIGRZVHBP-UHFFFAOYSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.91
LogP ≤ 56.16
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'}

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Related Compounds

3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 103221338
3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
CID 17133480
3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide
CID 113253959
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
CID 103828130
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide (CID 103220934) is 3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is POQMDAIGRZVHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4INO/c14-7-4-10(17)12(5-8(7)15)19-13(20)6-1-2-11(18)9(16)3-6/h1-5H,(H,19,20).
What are the key properties of 3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide?
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 460.91 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 103220934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).