5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide

C12H9BrFNOS — CID 115909286

IUPAC5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(F)c1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H9BrFNOS/c1-7-3-2-4-8(14)11(7)15-12(16)9-5-6-10(13)17-9/h2-6H,1H3,(H,15,16)
InChIKeyNYUUGWFRDUGQLH-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.21
Rot. Bonds2

About 5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide

5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide (PubChem CID 115909286) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide
PubChem CID115909286
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(F)c1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H9BrFNOS/c1-7-3-2-4-8(14)11(7)15-12(16)9-5-6-10(13)17-9/h2-6H,1H3,(H,15,16)
InChIKeyNYUUGWFRDUGQLH-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide
CID 82818843
5-bromo-N-(2-fluoro-6-nitrophenyl)thiophene-2-carboxamide
CID 81311760
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
3-bromo-2-[(5-bromothiophene-2-carbonyl)amino]benzoic acid
CID 63112917
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide
CID 43548068
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide
CID 102852150
4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide (CID 115909286) is 5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide is Cc1cccc(F)c1NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide?
The InChIKey is NYUUGWFRDUGQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c1-7-3-2-4-8(14)11(7)15-12(16)9-5-6-10(13)17-9/h2-6H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide?
5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 115909286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).