5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide

C12H7BrF3NO3 — CID 1348179

IUPAC5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Br)o1
InChIInChI=1S/C12H7BrF3NO3/c13-10-5-4-9(19-10)11(18)17-7-2-1-3-8(6-7)20-12(14,15)16/h1-6H,(H,17,18)
InChIKeyDVLYTNKYTHPWFP-UHFFFAOYSA-N
MW350.09 g/mol
LogP4.19
Rot. Bonds3

About 5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide

5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide (PubChem CID 1348179) has the molecular formula C12H7BrF3NO3 and a molecular weight of 350.09 g/mol. Its IUPAC name is 5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide
PubChem CID1348179
Molecular FormulaC12H7BrF3NO3
Molecular Weight350.09 g/mol
Exact Mass348.96
IUPAC Name5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Br)o1
InChIInChI=1S/C12H7BrF3NO3/c13-10-5-4-9(19-10)11(18)17-7-2-1-3-8(6-7)20-12(14,15)16/h1-6H,(H,17,18)
InChIKeyDVLYTNKYTHPWFP-UHFFFAOYSA-N
XLogP4.19
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.09
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenyl-2-furancarboxamide
CID 220406
N-(3-fluorophenyl)furan-2-carboxamide
CID 306831
N-(4-bromophenyl)furan-2-carboxamide
CID 531895
N-(4-Fluorophenyl)-2-furamide
CID 531893
N-(3,4-difluorophenyl)furan-2-carboxamide
CID 743722
N-(3-methoxyphenyl)furan-2-carboxamide
CID 669405
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 660176
5-Bromo-n-(4-methoxyphenyl)-2-furamide
CID 730614
N-(2,4-difluorophenyl)-2-furamide
CID 755472
5-bromo-N-(2-fluorophenyl)furan-2-carboxamide
CID 773714
N-(4-fluorophenyl)-5-methyl-2-furamide
CID 844599
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide (CID 1348179) is 5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The InChIKey is DVLYTNKYTHPWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO3/c13-10-5-4-9(19-10)11(18)17-7-2-1-3-8(6-7)20-12(14,15)16/h1-6H,(H,17,18).
What are the key properties of 5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide?
5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide has a molecular weight of 350.09 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1348179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).