4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide

C16H17ClFN5O2 — CID 19028656

IUPAC4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnn(C2CCC=C2Cl)c1=O)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFN5O2/c1-10(2)21(12-8-6-11(18)7-9-12)15(24)23-16(25)22(19-20-23)14-5-3-4-13(14)17/h4,6-10,14H,3,5H2,1-2H3
InChIKeyXQCXGGMPAXXGSJ-UHFFFAOYSA-N
MW365.80 g/mol
LogP2.92
Rot. Bonds3

About 4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide

4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide (PubChem CID 19028656) has the molecular formula C16H17ClFN5O2 and a molecular weight of 365.80 g/mol. Its IUPAC name is 4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
PubChem CID19028656
Molecular FormulaC16H17ClFN5O2
Molecular Weight365.80 g/mol
Exact Mass365.11
IUPAC Name4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnn(C2CCC=C2Cl)c1=O)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFN5O2/c1-10(2)21(12-8-6-11(18)7-9-12)15(24)23-16(25)22(19-20-23)14-5-3-4-13(14)17/h4,6-10,14H,3,5H2,1-2H3
InChIKeyXQCXGGMPAXXGSJ-UHFFFAOYSA-N
XLogP2.92
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 52.92
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-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The IUPAC name of 4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide (CID 19028656) is 4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide.
What is the SMILES notation for 4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The canonical SMILES for 4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide is CC(C)N(C(=O)n1nnn(C2CCC=C2Cl)c1=O)c1ccc(F)cc1.
What is the InChIKey of 4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The InChIKey is XQCXGGMPAXXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN5O2/c1-10(2)21(12-8-6-11(18)7-9-12)15(24)23-16(25)22(19-20-23)14-5-3-4-13(14)17/h4,6-10,14H,3,5H2,1-2H3.
What are the key properties of 4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide has a molecular weight of 365.80 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorocyclopent-2-en-1-yl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide is sourced from PubChem (CID 19028656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).