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

C13H9BrClN5O2 — CID 16799259

IUPAC5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H9BrClN5O2/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)
InChIKeyXXOPPUPOAWQYIY-UHFFFAOYSA-N
MW382.61 g/mol
LogP2.60
Rot. Bonds4

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

5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 16799259) has the molecular formula C13H9BrClN5O2 and a molecular weight of 382.61 g/mol. Its IUPAC name is 5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
PubChem CID16799259
Molecular FormulaC13H9BrClN5O2
Molecular Weight382.61 g/mol
Exact Mass380.96
IUPAC Name5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H9BrClN5O2/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)
InChIKeyXXOPPUPOAWQYIY-UHFFFAOYSA-N
XLogP2.60
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.61
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (CID 16799259) is 5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is XXOPPUPOAWQYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN5O2/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-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
5-bromo-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 382.61 g/mol, XLogP of 2.60, 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-chlorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 16799259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).