5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide

C12H7Br2F2NOS — CID 79947502

IUPAC5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2c(F)cc(Br)cc2F)sc1Br
InChIInChI=1S/C12H7Br2F2NOS/c1-5-2-9(19-11(5)14)12(18)17-10-7(15)3-6(13)4-8(10)16/h2-4H,1H3,(H,17,18)
InChIKeySFQPZKQKZVYCBW-UHFFFAOYSA-N
MW411.07 g/mol
LogP5.11
Rot. Bonds2

About 5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide (PubChem CID 79947502) has the molecular formula C12H7Br2F2NOS and a molecular weight of 411.07 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide
PubChem CID79947502
Molecular FormulaC12H7Br2F2NOS
Molecular Weight411.07 g/mol
Exact Mass408.86
IUPAC Name5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2c(F)cc(Br)cc2F)sc1Br
InChIInChI=1S/C12H7Br2F2NOS/c1-5-2-9(19-11(5)14)12(18)17-10-7(15)3-6(13)4-8(10)16/h2-4H,1H3,(H,17,18)
InChIKeySFQPZKQKZVYCBW-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.07
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
CID 79989758
N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976343
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide
CID 65499900
4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 79981534
5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide
CID 79999578
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
CID 79999807

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide (CID 79947502) is 5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2c(F)cc(Br)cc2F)sc1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is SFQPZKQKZVYCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2F2NOS/c1-5-2-9(19-11(5)14)12(18)17-10-7(15)3-6(13)4-8(10)16/h2-4H,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 411.07 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79947502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).