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

C13H9FN6O4 — CID 16799315

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9FN6O4/c14-8-1-3-9(4-2-8)19-11(16-17-18-19)7-15-13(21)10-5-6-12(24-10)20(22)23/h1-6H,7H2,(H,15,21)
InChIKeyBGMRAQZNJRUNRM-UHFFFAOYSA-N
MW332.25 g/mol
LogP1.23
Rot. Bonds5

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

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide (PubChem CID 16799315) has the molecular formula C13H9FN6O4 and a molecular weight of 332.25 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide
PubChem CID16799315
Molecular FormulaC13H9FN6O4
Molecular Weight332.25 g/mol
Exact Mass332.07
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9FN6O4/c14-8-1-3-9(4-2-8)19-11(16-17-18-19)7-15-13(21)10-5-6-12(24-10)20(22)23/h1-6H,7H2,(H,15,21)
InChIKeyBGMRAQZNJRUNRM-UHFFFAOYSA-N
XLogP1.23
TPSA128.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-5-nitrofuran-2-carboxamide
CID 16799172
N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)-5-nitrofuran-2-carboxamide
CID 16799270
(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 30857968
N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-5-nitro-furan-2-carboxamide
CID 5495967
5-nitro-N-((1-(p-tolyl)-1H-tetrazol-5-yl)methyl)furan-2-carboxamide
CID 18565654
5-bromo-N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}furan-2-carboxamide
CID 27443738
N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-5-nitrofuran-2-carboxamide
CID 45505621
5-bromo-N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}furan-2-carboxamide
CID 27545895
5-bromo-N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)furan-2-carboxamide
CID 27554854
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 N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide (CID 16799315) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide is O=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide?
The InChIKey is BGMRAQZNJRUNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN6O4/c14-8-1-3-9(4-2-8)19-11(16-17-18-19)7-15-13(21)10-5-6-12(24-10)20(22)23/h1-6H,7H2,(H,15,21).
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide has a molecular weight of 332.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 16799315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).