5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide

C17H16Cl2INO — CID 38908667

IUPAC5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C17H16Cl2INO/c1-3-10-5-7-14(19)12(4-2)16(10)21-17(22)13-9-11(18)6-8-15(13)20/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyHZEVIMUIQKVDRU-UHFFFAOYSA-N
MW448.13 g/mol
LogP5.98
Rot. Bonds4

About 5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide

5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide (PubChem CID 38908667) has the molecular formula C17H16Cl2INO and a molecular weight of 448.13 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide
PubChem CID38908667
Molecular FormulaC17H16Cl2INO
Molecular Weight448.13 g/mol
Exact Mass446.97
IUPAC Name5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C17H16Cl2INO/c1-3-10-5-7-14(19)12(4-2)16(10)21-17(22)13-9-11(18)6-8-15(13)20/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyHZEVIMUIQKVDRU-UHFFFAOYSA-N
XLogP5.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.13
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide
CID 106852902
N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8920403
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide
CID 7920564
N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide
CID 26198599
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 26198654
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
5-chloro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626498
N-(3-chloro-2,6-diethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7920531

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide?
The IUPAC name of 5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide (CID 38908667) is 5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide is CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide?
The InChIKey is HZEVIMUIQKVDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2INO/c1-3-10-5-7-14(19)12(4-2)16(10)21-17(22)13-9-11(18)6-8-15(13)20/h5-9H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide?
5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide has a molecular weight of 448.13 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide is sourced from PubChem (CID 38908667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).