3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide

C11H6BrClFNOS — CID 60778064

IUPAC3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)c1sccc1Br
InChIInChI=1S/C11H6BrClFNOS/c12-6-4-5-17-10(6)11(16)15-8-3-1-2-7(13)9(8)14/h1-5H,(H,15,16)
InChIKeyZHOIPXGOEWNJPB-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.56
Rot. Bonds2

About 3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide

3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide (PubChem CID 60778064) has the molecular formula C11H6BrClFNOS and a molecular weight of 334.60 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide
PubChem CID60778064
Molecular FormulaC11H6BrClFNOS
Molecular Weight334.60 g/mol
Exact Mass332.90
IUPAC Name3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)c1sccc1Br
InChIInChI=1S/C11H6BrClFNOS/c12-6-4-5-17-10(6)11(16)15-8-3-1-2-7(13)9(8)14/h1-5H,(H,15,16)
InChIKeyZHOIPXGOEWNJPB-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55240484
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3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
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N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645283
3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103799691
3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
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4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
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CID 28969166

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide (CID 60778064) is 3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide is O=C(Nc1cccc(Cl)c1F)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is ZHOIPXGOEWNJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFNOS/c12-6-4-5-17-10(6)11(16)15-8-3-1-2-7(13)9(8)14/h1-5H,(H,15,16).
What are the key properties of 3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide?
3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 334.60 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 60778064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).