5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide

C12H7BrF3NO2S — CID 47267877

IUPAC5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)c1csc(Br)c1
InChIInChI=1S/C12H7BrF3NO2S/c13-10-3-6(5-20-10)11(18)17-7-1-2-9(8(14)4-7)19-12(15)16/h1-5,12H,(H,17,18)
InChIKeyWCAOIAKIBMQOOB-UHFFFAOYSA-N
MW366.16 g/mol
LogP4.50
Rot. Bonds4

About 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide

5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide (PubChem CID 47267877) has the molecular formula C12H7BrF3NO2S and a molecular weight of 366.16 g/mol. Its IUPAC name is 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide
PubChem CID47267877
Molecular FormulaC12H7BrF3NO2S
Molecular Weight366.16 g/mol
Exact Mass364.93
IUPAC Name5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)c1csc(Br)c1
InChIInChI=1S/C12H7BrF3NO2S/c13-10-3-6(5-20-10)11(18)17-7-1-2-9(8(14)4-7)19-12(15)16/h1-5,12H,(H,17,18)
InChIKeyWCAOIAKIBMQOOB-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
CID 43612160
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide
CID 61061949
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
CID 63999218
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886
5-bromo-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 43424533
5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide
CID 171463789
5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide
CID 39642819
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
N-(4-bromo-3-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 65436031
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide (CID 47267877) is 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide is O=C(Nc1ccc(OC(F)F)c(F)c1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide?
The InChIKey is WCAOIAKIBMQOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO2S/c13-10-3-6(5-20-10)11(18)17-7-1-2-9(8(14)4-7)19-12(15)16/h1-5,12H,(H,17,18).
What are the key properties of 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide?
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide has a molecular weight of 366.16 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide is sourced from PubChem (CID 47267877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).