N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide

C11H6BrFINOS — CID 78949454

IUPACN-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1csc(I)c1
InChIInChI=1S/C11H6BrFINOS/c12-7-1-2-9(8(13)4-7)15-11(16)6-3-10(14)17-5-6/h1-5H,(H,15,16)
InChIKeyVYUDVPXEZLXQGT-UHFFFAOYSA-N
MW426.05 g/mol
LogP4.51
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide

N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide (PubChem CID 78949454) has the molecular formula C11H6BrFINOS and a molecular weight of 426.05 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
PubChem CID78949454
Molecular FormulaC11H6BrFINOS
Molecular Weight426.05 g/mol
Exact Mass424.84
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1csc(I)c1
InChIInChI=1S/C11H6BrFINOS/c12-7-1-2-9(8(13)4-7)15-11(16)6-3-10(14)17-5-6/h1-5H,(H,15,16)
InChIKeyVYUDVPXEZLXQGT-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.05
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
CID 78948478
N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
CID 78948597
N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide
CID 81259590
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948922
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 115784588
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
CID 43424569
5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
CID 79046719
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 79954178
N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532914
2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 114967129

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide (CID 78949454) is N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide is O=C(Nc1ccc(Br)cc1F)c1csc(I)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide?
The InChIKey is VYUDVPXEZLXQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFINOS/c12-7-1-2-9(8(13)4-7)15-11(16)6-3-10(14)17-5-6/h1-5H,(H,15,16).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide has a molecular weight of 426.05 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78949454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).