5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide

C13H8BrFN2OS — CID 79953525

IUPAC5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2C#N)sc1Br
InChIInChI=1S/C13H8BrFN2OS/c1-7-4-11(19-12(7)14)13(18)17-10-3-2-9(15)5-8(10)6-16/h2-5H,1H3,(H,17,18)
InChIKeyLUPPESBTHBYQNW-UHFFFAOYSA-N
MW339.19 g/mol
LogP4.08
Rot. Bonds2

About 5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide (PubChem CID 79953525) has the molecular formula C13H8BrFN2OS and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
PubChem CID79953525
Molecular FormulaC13H8BrFN2OS
Molecular Weight339.19 g/mol
Exact Mass337.95
IUPAC Name5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2C#N)sc1Br
InChIInChI=1S/C13H8BrFN2OS/c1-7-4-11(19-12(7)14)13(18)17-10-3-2-9(15)5-8(10)6-16/h2-5H,1H3,(H,17,18)
InChIKeyLUPPESBTHBYQNW-UHFFFAOYSA-N
XLogP4.08
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 79954018
5-bromo-N-(2-cyano-4-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 79987442
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79925633
N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79954172
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 79981534
N-(4-amino-2-cyanophenyl)-4,5-dibromothiophene-2-carboxamide
CID 80537159
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide
CID 112697621
3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 103401716
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 79954179

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide (CID 79953525) is 5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2C#N)sc1Br.
What is the InChIKey of 5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is LUPPESBTHBYQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2OS/c1-7-4-11(19-12(7)14)13(18)17-10-3-2-9(15)5-8(10)6-16/h2-5H,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79953525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).