N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide

C12H8Br2INOS — CID 79694128

IUPACN-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2csc(I)c2)c(Br)c1
InChIInChI=1S/C12H8Br2INOS/c1-6-2-8(13)11(9(14)3-6)16-12(17)7-4-10(15)18-5-7/h2-5H,1H3,(H,16,17)
InChIKeyFZLQUFZJJKTQBR-UHFFFAOYSA-N
MW500.98 g/mol
LogP5.44
Rot. Bonds2

About N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide

N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide (PubChem CID 79694128) has the molecular formula C12H8Br2INOS and a molecular weight of 500.98 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide
PubChem CID79694128
Molecular FormulaC12H8Br2INOS
Molecular Weight500.98 g/mol
Exact Mass498.77
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2csc(I)c2)c(Br)c1
InChIInChI=1S/C12H8Br2INOS/c1-6-2-8(13)11(9(14)3-6)16-12(17)7-4-10(15)18-5-7/h2-5H,1H3,(H,16,17)
InChIKeyFZLQUFZJJKTQBR-UHFFFAOYSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.98
LogP ≤ 55.44
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

N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 103738916
N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
CID 79116772
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
CID 79046719
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
N-(2-amino-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 112557451
N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide
CID 166195214
N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide
CID 81259590
N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide
CID 167757299

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide (CID 79694128) is N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide is Cc1cc(Br)c(NC(=O)c2csc(I)c2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide?
The InChIKey is FZLQUFZJJKTQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2INOS/c1-6-2-8(13)11(9(14)3-6)16-12(17)7-4-10(15)18-5-7/h2-5H,1H3,(H,16,17).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide?
N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide has a molecular weight of 500.98 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79694128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).