3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide

C15H7Cl2FINOS — CID 2214579

IUPAC3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1F)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H7Cl2FINOS/c16-7-1-3-9-12(5-7)22-14(13(9)17)15(21)20-11-4-2-8(19)6-10(11)18/h1-6H,(H,20,21)
InChIKeyDNNIOBSXJZNXJO-UHFFFAOYSA-N
MW466.10 g/mol
LogP6.20
Rot. Bonds2

About 3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide

3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 2214579) has the molecular formula C15H7Cl2FINOS and a molecular weight of 466.10 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide
PubChem CID2214579
Molecular FormulaC15H7Cl2FINOS
Molecular Weight466.10 g/mol
Exact Mass464.87
IUPAC Name3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1F)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H7Cl2FINOS/c16-7-1-3-9-12(5-7)22-14(13(9)17)15(21)20-11-4-2-8(19)6-10(11)18/h1-6H,(H,20,21)
InChIKeyDNNIOBSXJZNXJO-UHFFFAOYSA-N
XLogP6.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.10
LogP ≤ 56.20
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

3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 3424498
3,6-dichloro-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17317044
N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 91687360
3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide
CID 3114628
3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3129384
3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16546479
3,6-dichloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 50882585
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946
3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 9091464
3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 9097794
3,6-dichloro-N-[4-(difluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 9084516

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide (CID 2214579) is 3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(I)cc1F)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is DNNIOBSXJZNXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2FINOS/c16-7-1-3-9-12(5-7)22-14(13(9)17)15(21)20-11-4-2-8(19)6-10(11)18/h1-6H,(H,20,21).
What are the key properties of 3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 466.10 g/mol, XLogP of 6.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2214579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).