3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide

C15H13ClINO2 — CID 103828130

IUPAC3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
SMILESCc1ccc(NC(=O)c2ccc(I)c(Cl)c2)c(C)c1O
InChIInChI=1S/C15H13ClINO2/c1-8-3-6-13(9(2)14(8)19)18-15(20)10-4-5-12(17)11(16)7-10/h3-7,19H,1-2H3,(H,18,20)
InChIKeyFKICXPMOSFKREB-UHFFFAOYSA-N
MW401.63 g/mol
LogP4.52
Rot. Bonds2

About 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide

3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide (PubChem CID 103828130) has the molecular formula C15H13ClINO2 and a molecular weight of 401.63 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
PubChem CID103828130
Molecular FormulaC15H13ClINO2
Molecular Weight401.63 g/mol
Exact Mass400.97
IUPAC Name3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
SMILESCc1ccc(NC(=O)c2ccc(I)c(Cl)c2)c(C)c1O
InChIInChI=1S/C15H13ClINO2/c1-8-3-6-13(9(2)14(8)19)18-15(20)10-4-5-12(17)11(16)7-10/h3-7,19H,1-2H3,(H,18,20)
InChIKeyFKICXPMOSFKREB-UHFFFAOYSA-N
XLogP4.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.63
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
N-(6-amino-2,3-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218671
3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide
CID 113253959
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide
CID 79692773
3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
CID 19630910
3-chloro-4-iodo-N-methoxybenzamide
CID 103734914
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
N-(3-hydroxy-2,4-dimethylphenyl)-2-iodobenzamide
CID 61400668
3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 103221338
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide (CID 103828130) is 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide is Cc1ccc(NC(=O)c2ccc(I)c(Cl)c2)c(C)c1O.
What is the InChIKey of 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide?
The InChIKey is FKICXPMOSFKREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO2/c1-8-3-6-13(9(2)14(8)19)18-15(20)10-4-5-12(17)11(16)7-10/h3-7,19H,1-2H3,(H,18,20).
What are the key properties of 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide?
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide has a molecular weight of 401.63 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide is sourced from PubChem (CID 103828130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).