N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide

C12H8BrFINOS — CID 78948922

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1csc(I)c1
InChIInChI=1S/C12H8BrFINOS/c13-9-1-2-10(14)7(3-9)5-16-12(17)8-4-11(15)18-6-8/h1-4,6H,5H2,(H,16,17)
InChIKeyYMOQGAIXNZWIBV-UHFFFAOYSA-N
MW440.08 g/mol
LogP4.18
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide (PubChem CID 78948922) has the molecular formula C12H8BrFINOS and a molecular weight of 440.08 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
PubChem CID78948922
Molecular FormulaC12H8BrFINOS
Molecular Weight440.08 g/mol
Exact Mass438.85
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1csc(I)c1
InChIInChI=1S/C12H8BrFINOS/c13-9-1-2-10(14)7(3-9)5-16-12(17)8-4-11(15)18-6-8/h1-4,6H,5H2,(H,16,17)
InChIKeyYMOQGAIXNZWIBV-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.08
LogP ≤ 54.18
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

2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 114967129
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948526
N-[(4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948423
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 107999117

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide (CID 78948922) is N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide is O=C(NCc1cc(Br)ccc1F)c1csc(I)c1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide?
The InChIKey is YMOQGAIXNZWIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFINOS/c13-9-1-2-10(14)7(3-9)5-16-12(17)8-4-11(15)18-6-8/h1-4,6H,5H2,(H,16,17).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide has a molecular weight of 440.08 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).