4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C12H5Br3F3NOS — CID 78906787

IUPAC4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H5Br3F3NOS/c13-7-2-1-5(3-6(7)12(16,17)18)19-11(20)9-4-8(14)10(15)21-9/h1-4H,(H,19,20)
InChIKeyHMRIZNADHUWPKK-UHFFFAOYSA-N
MW507.95 g/mol
LogP6.31
Rot. Bonds2

About 4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 78906787) has the molecular formula C12H5Br3F3NOS and a molecular weight of 507.95 g/mol. Its IUPAC name is 4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID78906787
Molecular FormulaC12H5Br3F3NOS
Molecular Weight507.95 g/mol
Exact Mass504.76
IUPAC Name4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H5Br3F3NOS/c13-7-2-1-5(3-6(7)12(16,17)18)19-11(20)9-4-8(14)10(15)21-9/h1-4H,(H,19,20)
InChIKeyHMRIZNADHUWPKK-UHFFFAOYSA-N
XLogP6.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.95
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4,5-dibromothiophene-2-carbonyl)amino]urea
CID 25226526
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 41248376
4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 4843233
N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 2421792
4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide
CID 47254936
2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 78906787) is 4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is HMRIZNADHUWPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br3F3NOS/c13-7-2-1-5(3-6(7)12(16,17)18)19-11(20)9-4-8(14)10(15)21-9/h1-4H,(H,19,20).
What are the key properties of 4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 507.95 g/mol, XLogP of 6.31, 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-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 78906787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).