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

C13H9ClN6O4 — CID 16799270

IUPACN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9ClN6O4/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)
InChIKeyYQGPYGQOONNXCV-UHFFFAOYSA-N
MW348.71 g/mol
LogP1.75
Rot. Bonds5

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

N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide (PubChem CID 16799270) has the molecular formula C13H9ClN6O4 and a molecular weight of 348.71 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide
PubChem CID16799270
Molecular FormulaC13H9ClN6O4
Molecular Weight348.71 g/mol
Exact Mass348.04
IUPAC NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9ClN6O4/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)
InChIKeyYQGPYGQOONNXCV-UHFFFAOYSA-N
XLogP1.75
TPSA128.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 51.75
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'}

Analyze N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-5-nitrofuran-2-carboxamide
CID 16799172
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
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-nitro-2-furamide
CID 24981106
(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 30857968
5-nitro-N-((1-(p-tolyl)-1H-tetrazol-5-yl)methyl)furan-2-carboxamide
CID 18565654
(4-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 30858082
(4-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 30858289
N-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)furan-2-carboxamide
CID 41567971
N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide
CID 41568058
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide
CID 41568243
N-{[1-(4-Fluorophenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}furan-2-carboxamide
CID 41783868

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide (CID 16799270) is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide is O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide?
The InChIKey is YQGPYGQOONNXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6O4/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-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide?
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide has a molecular weight of 348.71 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 16799270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).