3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide

C15H12Cl2INO2 — CID 103221287

IUPAC3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl2INO2/c1-2-21-14-6-4-10(8-12(14)17)19-15(20)9-3-5-13(18)11(16)7-9/h3-8H,2H2,1H3,(H,19,20)
InChIKeyUIXKTJPZWCWZKZ-UHFFFAOYSA-N
MW436.08 g/mol
LogP5.25
Rot. Bonds4

About 3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide

3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide (PubChem CID 103221287) has the molecular formula C15H12Cl2INO2 and a molecular weight of 436.08 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
PubChem CID103221287
Molecular FormulaC15H12Cl2INO2
Molecular Weight436.08 g/mol
Exact Mass434.93
IUPAC Name3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl2INO2/c1-2-21-14-6-4-10(8-12(14)17)19-15(20)9-3-5-13(18)11(16)7-9/h3-8H,2H2,1H3,(H,19,20)
InChIKeyUIXKTJPZWCWZKZ-UHFFFAOYSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.08
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide
CID 103221306
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide
CID 107074269
N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78948622
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
CID 103218699
N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1164621
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
CID 17128645

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide (CID 103221287) is 3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide is CCOc1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide?
The InChIKey is UIXKTJPZWCWZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2INO2/c1-2-21-14-6-4-10(8-12(14)17)19-15(20)9-3-5-13(18)11(16)7-9/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide?
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide has a molecular weight of 436.08 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide is sourced from PubChem (CID 103221287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).