5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide

C11H5F3INOS — CID 79046719

IUPAC5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1F)c1csc(I)c1
InChIInChI=1S/C11H5F3INOS/c12-6-2-7(13)10(8(14)3-6)16-11(17)5-1-9(15)18-4-5/h1-4H,(H,16,17)
InChIKeyNLENOLHXYCXXMG-UHFFFAOYSA-N
MW383.13 g/mol
LogP4.02
Rot. Bonds2

About 5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide

5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide (PubChem CID 79046719) has the molecular formula C11H5F3INOS and a molecular weight of 383.13 g/mol. Its IUPAC name is 5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
PubChem CID79046719
Molecular FormulaC11H5F3INOS
Molecular Weight383.13 g/mol
Exact Mass382.91
IUPAC Name5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1F)c1csc(I)c1
InChIInChI=1S/C11H5F3INOS/c12-6-2-7(13)10(8(14)3-6)16-11(17)5-1-9(15)18-4-5/h1-4H,(H,16,17)
InChIKeyNLENOLHXYCXXMG-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.13
LogP ≤ 54.02
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

3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide
CID 44586466
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide
CID 79694128
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 79954178
N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
methyl 5-fluoro-2-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78948985
N-[1-(4-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78948691
(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 114972960
3,5-dichloro-2-[(5-iodothiophene-3-carbonyl)amino]benzoic acid
CID 79685256

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide (CID 79046719) is 5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide is O=C(Nc1c(F)cc(F)cc1F)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide?
The InChIKey is NLENOLHXYCXXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3INOS/c12-6-2-7(13)10(8(14)3-6)16-11(17)5-1-9(15)18-4-5/h1-4H,(H,16,17).
What are the key properties of 5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide?
5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide has a molecular weight of 383.13 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 79046719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).