4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide

C16H13Cl2N5O2 — CID 58502246

IUPAC4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1ccccc1
InChIInChI=1S/C16H13Cl2N5O2/c1-2-21(11-7-4-3-5-8-11)15(24)23-16(25)22(19-20-23)14-12(17)9-6-10-13(14)18/h3-10H,2H2,1H3
InChIKeyVZQQNCYOVCNOTF-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.23
Rot. Bonds3

About 4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide

4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide (PubChem CID 58502246) has the molecular formula C16H13Cl2N5O2 and a molecular weight of 378.22 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide
PubChem CID58502246
Molecular FormulaC16H13Cl2N5O2
Molecular Weight378.22 g/mol
Exact Mass377.04
IUPAC Name4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1ccccc1
InChIInChI=1S/C16H13Cl2N5O2/c1-2-21(11-7-4-3-5-8-11)15(24)23-16(25)22(19-20-23)14-12(17)9-6-10-13(14)18/h3-10H,2H2,1H3
InChIKeyVZQQNCYOVCNOTF-UHFFFAOYSA-N
XLogP3.23
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-ethylamino]benzoic acid
CID 58502487
4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58502301
4-(2,6-dichlorophenyl)-N-ethyl-N-(4-nitrophenyl)-5-oxotetrazole-1-carboxamide
CID 58502054
methyl 4-[[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-ethylamino]benzoate
CID 58501976
benzyl 2-chloro-4-[[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-ethylamino]benzoate
CID 58502174
N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide
CID 70668202
4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide
CID 123556058
dimethylphosphanyl 2-chloro-5-[[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-ethylamino]benzoate
CID 129101064
N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide
CID 58502117
4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide
CID 70668188
4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide
CID 15219374
N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide
CID 14857263

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide?
The IUPAC name of 4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide (CID 58502246) is 4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide?
The canonical SMILES for 4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1ccccc1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide?
The InChIKey is VZQQNCYOVCNOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O2/c1-2-21(11-7-4-3-5-8-11)15(24)23-16(25)22(19-20-23)14-12(17)9-6-10-13(14)18/h3-10H,2H2,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide?
4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide has a molecular weight of 378.22 g/mol, XLogP of 3.23, 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-5-oxo-N-phenyltetrazole-1-carboxamide is sourced from PubChem (CID 58502246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).