4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide

C16H20ClN5O2 — CID 3081363

IUPAC4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1
InChIInChI=1S/C16H20ClN5O2/c1-2-20(12-8-4-3-5-9-12)15(23)22-16(24)21(18-19-22)14-11-7-6-10-13(14)17/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyLLQPHQFNMLZJMP-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.71
Rot. Bonds3

About 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide

4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide (PubChem CID 3081363) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide
PubChem CID3081363
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1
InChIInChI=1S/C16H20ClN5O2/c1-2-20(12-8-4-3-5-9-12)15(23)22-16(24)21(18-19-22)14-11-7-6-10-13(14)17/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyLLQPHQFNMLZJMP-UHFFFAOYSA-N
XLogP2.71
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide (CID 3081363) is 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide?
The InChIKey is LLQPHQFNMLZJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-2-20(12-8-4-3-5-9-12)15(23)22-16(24)21(18-19-22)14-11-7-6-10-13(14)17/h6-7,10-12H,2-5,8-9H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide?
4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 3081363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).