5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide

C12H7BrF3NO2S — CID 61061949

IUPAC5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(Br)s1
InChIInChI=1S/C12H7BrF3NO2S/c13-10-4-3-9(20-10)11(18)17-6-1-2-8(7(14)5-6)19-12(15)16/h1-5,12H,(H,17,18)
InChIKeyDIXIFUWZJYGYMU-UHFFFAOYSA-N
MW366.16 g/mol
LogP4.50
Rot. Bonds4

About 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide

5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide (PubChem CID 61061949) 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-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide
PubChem CID61061949
Molecular FormulaC12H7BrF3NO2S
Molecular Weight366.16 g/mol
Exact Mass364.93
IUPAC Name5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(Br)s1
InChIInChI=1S/C12H7BrF3NO2S/c13-10-4-3-9(20-10)11(18)17-6-1-2-8(7(14)5-6)19-12(15)16/h1-5,12H,(H,17,18)
InChIKeyDIXIFUWZJYGYMU-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-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide
CID 47267877
5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide
CID 171463789
N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
CID 33307814
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688517
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 60727246
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide
CID 87025999
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
5-bromo-N-(3-chloro-5-fluorophenyl)thiophene-2-carboxamide
CID 103774691
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 64525284
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide (CID 61061949) is 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide is O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide?
The InChIKey is DIXIFUWZJYGYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO2S/c13-10-4-3-9(20-10)11(18)17-6-1-2-8(7(14)5-6)19-12(15)16/h1-5,12H,(H,17,18).
What are the key properties of 5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide?
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 61061949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).