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

C15H18ClN5O2 — CID 15219374

IUPAC4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCC1
InChIInChI=1S/C15H18ClN5O2/c1-2-19(11-7-3-4-8-11)14(22)21-15(23)20(17-18-21)13-10-6-5-9-12(13)16/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyPTVKJAQWYXDGJH-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.32
Rot. Bonds3

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

4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide (PubChem CID 15219374) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide
PubChem CID15219374
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCC1
InChIInChI=1S/C15H18ClN5O2/c1-2-19(11-7-3-4-8-11)14(22)21-15(23)20(17-18-21)13-10-6-5-9-12(13)16/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyPTVKJAQWYXDGJH-UHFFFAOYSA-N
XLogP2.32
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.32
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-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide (CID 15219374) is 4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide?
The InChIKey is PTVKJAQWYXDGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-2-19(11-7-3-4-8-11)14(22)21-15(23)20(17-18-21)13-10-6-5-9-12(13)16/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide?
4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide has a molecular weight of 335.80 g/mol, XLogP of 2.32, 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-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 15219374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).