4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide

C11H5Br2F2NOS — CID 41248376

IUPAC4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H5Br2F2NOS/c12-8-4-9(18-10(8)13)11(17)16-7-2-5(14)1-6(15)3-7/h1-4H,(H,16,17)
InChIKeyHWLPGCPSOJJXHP-UHFFFAOYSA-N
MW397.04 g/mol
LogP4.80
Rot. Bonds2

About 4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide

4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide (PubChem CID 41248376) has the molecular formula C11H5Br2F2NOS and a molecular weight of 397.04 g/mol. Its IUPAC name is 4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
PubChem CID41248376
Molecular FormulaC11H5Br2F2NOS
Molecular Weight397.04 g/mol
Exact Mass394.84
IUPAC Name4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H5Br2F2NOS/c12-8-4-9(18-10(8)13)11(17)16-7-2-5(14)1-6(15)3-7/h1-4H,(H,16,17)
InChIKeyHWLPGCPSOJJXHP-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.04
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(3-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 80536601
4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
CID 107612502
N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 4843233
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
CID 80536593
4,5-dibromo-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 42119588
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24635611
2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 43092929
N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide
CID 39280552
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide (CID 41248376) is 4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide?
The InChIKey is HWLPGCPSOJJXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2F2NOS/c12-8-4-9(18-10(8)13)11(17)16-7-2-5(14)1-6(15)3-7/h1-4H,(H,16,17).
What are the key properties of 4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide has a molecular weight of 397.04 g/mol, XLogP of 4.80, 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-(3,5-difluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 41248376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).