4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide

C11H4Br3ClFNOS — CID 107612502

IUPAC4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H4Br3ClFNOS/c12-5-1-4(16)2-7(15)9(5)17-11(18)8-3-6(13)10(14)19-8/h1-3H,(H,17,18)
InChIKeyOADWVEHGCDGOJF-UHFFFAOYSA-N
MW492.39 g/mol
LogP6.08
Rot. Bonds2

About 4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 107612502) has the molecular formula C11H4Br3ClFNOS and a molecular weight of 492.39 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
PubChem CID107612502
Molecular FormulaC11H4Br3ClFNOS
Molecular Weight492.39 g/mol
Exact Mass488.72
IUPAC Name4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H4Br3ClFNOS/c12-5-1-4(16)2-7(15)9(5)17-11(18)8-3-6(13)10(14)19-8/h1-3H,(H,17,18)
InChIKeyOADWVEHGCDGOJF-UHFFFAOYSA-N
XLogP6.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.39
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 103867716
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 41248376
4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
CID 80536593
4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide
CID 19205247
4,5-dibromo-N-(3-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 80536601
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
CID 107617505
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
CID 107612535
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide (CID 107612502) is 4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide is O=C(Nc1c(Cl)cc(F)cc1Br)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is OADWVEHGCDGOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br3ClFNOS/c12-5-1-4(16)2-7(15)9(5)17-11(18)8-3-6(13)10(14)19-8/h1-3H,(H,17,18).
What are the key properties of 4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 492.39 g/mol, XLogP of 6.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 107612502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).