5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide

C13H9BrFN5O2 — CID 27554854

IUPAC5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H9BrFN5O2/c14-11-6-5-10(22-11)13(21)16-7-12-17-18-19-20(12)9-3-1-8(15)2-4-9/h1-6H,7H2,(H,16,21)
InChIKeyKWESJVHLUWDSFS-UHFFFAOYSA-N
MW366.15 g/mol
LogP2.09
Rot. Bonds4

About 5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide

5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 27554854) has the molecular formula C13H9BrFN5O2 and a molecular weight of 366.15 g/mol. Its IUPAC name is 5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
PubChem CID27554854
Molecular FormulaC13H9BrFN5O2
Molecular Weight366.15 g/mol
Exact Mass364.99
IUPAC Name5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H9BrFN5O2/c14-11-6-5-10(22-11)13(21)16-7-12-17-18-19-20(12)9-3-1-8(15)2-4-9/h1-6H,7H2,(H,16,21)
InChIKeyKWESJVHLUWDSFS-UHFFFAOYSA-N
XLogP2.09
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.15
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)furan-2-carboxamide
CID 16799259
N-{[1-(4-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-5-nitrofuran-2-carboxamide
CID 16799315
(5-Bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 46891383
5-Bromo-N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}furan-2-carboxamide
CID 22579868
(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 30857968
N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)furan-2-carboxamide
CID 18565514
5-bromo-N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}furan-2-carboxamide
CID 27443738
N-((4-(4-bromophenyl)-5-((2-((2-fluorophenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide
CID 5144419
5-bromo-N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}furan-2-carboxamide
CID 27545895
N-{[1-(3,4-Difluorophenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}furan-2-carboxamide
CID 27555010
(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)(furan-2-yl)methanone
CID 30857928
(5-bromofuran-2-yl)(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)methanone
CID 30857931

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (CID 27554854) is 5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is O=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is KWESJVHLUWDSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN5O2/c14-11-6-5-10(22-11)13(21)16-7-12-17-18-19-20(12)9-3-1-8(15)2-4-9/h1-6H,7H2,(H,16,21).
What are the key properties of 5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 366.15 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 27554854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).