N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide

C13H10ClFINOS — CID 78949110

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1csc(I)c1
InChIInChI=1S/C13H10ClFINOS/c1-17(13(18)8-5-12(16)19-7-8)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6H2,1H3
InChIKeyFVYOMUGXPYPZJW-UHFFFAOYSA-N
MW409.65 g/mol
LogP4.42
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide (PubChem CID 78949110) has the molecular formula C13H10ClFINOS and a molecular weight of 409.65 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
PubChem CID78949110
Molecular FormulaC13H10ClFINOS
Molecular Weight409.65 g/mol
Exact Mass408.92
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1csc(I)c1
InChIInChI=1S/C13H10ClFINOS/c1-17(13(18)8-5-12(16)19-7-8)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6H2,1H3
InChIKeyFVYOMUGXPYPZJW-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.65
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 79692774
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
CID 107951759
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104852084
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763351
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 61114856
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949699

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide (CID 78949110) is N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1csc(I)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide?
The InChIKey is FVYOMUGXPYPZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFINOS/c1-17(13(18)8-5-12(16)19-7-8)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide has a molecular weight of 409.65 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 78949110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).