3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide

C17H10Cl2INOS — CID 16577558

IUPAC3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1cccs1)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C17H10Cl2INOS/c18-10-8-12(16(20)13(19)9-10)17(22)21-14-5-2-1-4-11(14)15-6-3-7-23-15/h1-9H,(H,21,22)
InChIKeyCJTHKUJRCRXAQP-UHFFFAOYSA-N
MW474.15 g/mol
LogP6.58
Rot. Bonds3

About 3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide

3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide (PubChem CID 16577558) has the molecular formula C17H10Cl2INOS and a molecular weight of 474.15 g/mol. Its IUPAC name is 3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide
PubChem CID16577558
Molecular FormulaC17H10Cl2INOS
Molecular Weight474.15 g/mol
Exact Mass472.89
IUPAC Name3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1cccs1)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C17H10Cl2INOS/c18-10-8-12(16(20)13(19)9-10)17(22)21-14-5-2-1-4-11(14)15-6-3-7-23-15/h1-9H,(H,21,22)
InChIKeyCJTHKUJRCRXAQP-UHFFFAOYSA-N
XLogP6.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.15
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide
CID 18224856
3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16557452
(E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 16577559
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 115645633
5-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 47131134
2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 103754168
3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 47131140
4-chloro-N-[4-oxo-4-(2-thiophen-2-ylanilino)butyl]benzamide
CID 55469548
(E)-4-oxo-4-(2-thiophen-2-ylanilino)but-2-enoic acid
CID 54868450
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide?
The IUPAC name of 3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide (CID 16577558) is 3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide?
The canonical SMILES for 3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide is O=C(Nc1ccccc1-c1cccs1)c1cc(Cl)cc(Cl)c1I.
What is the InChIKey of 3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide?
The InChIKey is CJTHKUJRCRXAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2INOS/c18-10-8-12(16(20)13(19)9-10)17(22)21-14-5-2-1-4-11(14)15-6-3-7-23-15/h1-9H,(H,21,22).
What are the key properties of 3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide?
3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide has a molecular weight of 474.15 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide is sourced from PubChem (CID 16577558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).