3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide

C15H8Cl2INOS — CID 1124680

IUPAC3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C15H8Cl2INOS/c16-10-5-2-6-11-12(10)13(17)14(21-11)15(20)19-9-4-1-3-8(18)7-9/h1-7H,(H,19,20)
InChIKeyWZBIZGNLBVGTJF-UHFFFAOYSA-N
MW448.11 g/mol
LogP6.07
Rot. Bonds2

About 3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide

3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 1124680) has the molecular formula C15H8Cl2INOS and a molecular weight of 448.11 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide
PubChem CID1124680
Molecular FormulaC15H8Cl2INOS
Molecular Weight448.11 g/mol
Exact Mass446.87
IUPAC Name3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C15H8Cl2INOS/c16-10-5-2-6-11-12(10)13(17)14(21-11)15(20)19-9-4-1-3-8(18)7-9/h1-7H,(H,19,20)
InChIKeyWZBIZGNLBVGTJF-UHFFFAOYSA-N
XLogP6.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.11
LogP ≤ 56.07
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

3,4-dichloro-N-(3-ethylphenyl)-1-benzothiophene-2-carboxamide
CID 997805
3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 896662
3,4-dichloro-N-(4-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 1124678
N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide
CID 994741
3,4-dichloro-N-(2,4-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 987829
3,4-dichloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
CID 5074180
N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
CID 1245212
3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 2933416
3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4676424
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide
CID 66354000
3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 35684859

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide (CID 1124680) is 3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(I)c1)c1sc2cccc(Cl)c2c1Cl.
What is the InChIKey of 3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is WZBIZGNLBVGTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2INOS/c16-10-5-2-6-11-12(10)13(17)14(21-11)15(20)19-9-4-1-3-8(18)7-9/h1-7H,(H,19,20).
What are the key properties of 3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide?
3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 448.11 g/mol, XLogP of 6.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1124680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).