4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide

C16H12Cl2FN5O2 — CID 58501970

IUPAC4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1ccccc1F
InChIInChI=1S/C16H12Cl2FN5O2/c1-2-22(13-9-4-3-8-12(13)19)15(25)24-16(26)23(20-21-24)14-10(17)6-5-7-11(14)18/h3-9H,2H2,1H3
InChIKeyLJTDARHXTHZDJX-UHFFFAOYSA-N
MW396.21 g/mol
LogP3.37
Rot. Bonds3

About 4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide

4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide (PubChem CID 58501970) has the molecular formula C16H12Cl2FN5O2 and a molecular weight of 396.21 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide
PubChem CID58501970
Molecular FormulaC16H12Cl2FN5O2
Molecular Weight396.21 g/mol
Exact Mass395.04
IUPAC Name4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1ccccc1F
InChIInChI=1S/C16H12Cl2FN5O2/c1-2-22(13-9-4-3-8-12(13)19)15(25)24-16(26)23(20-21-24)14-10(17)6-5-7-11(14)18/h3-9H,2H2,1H3
InChIKeyLJTDARHXTHZDJX-UHFFFAOYSA-N
XLogP3.37
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.21
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

Analyze 4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-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 4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of 4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide (CID 58501970) is 4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for 4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1ccccc1F.
What is the InChIKey of 4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide?
The InChIKey is LJTDARHXTHZDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN5O2/c1-2-22(13-9-4-3-8-12(13)19)15(25)24-16(26)23(20-21-24)14-10(17)6-5-7-11(14)18/h3-9H,2H2,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide?
4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide has a molecular weight of 396.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 58501970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).