4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide

C15H11ClFN5O2 — CID 58502392

IUPAC4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
SMILESCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)c1cccc(F)c1
InChIInChI=1S/C15H11ClFN5O2/c1-20(11-6-4-5-10(17)9-11)14(23)22-15(24)21(18-19-22)13-8-3-2-7-12(13)16/h2-9H,1H3
InChIKeyNOPCYNZHBBTHON-UHFFFAOYSA-N
MW347.74 g/mol
LogP2.33
Rot. Bonds2

About 4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide

4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide (PubChem CID 58502392) has the molecular formula C15H11ClFN5O2 and a molecular weight of 347.74 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
PubChem CID58502392
Molecular FormulaC15H11ClFN5O2
Molecular Weight347.74 g/mol
Exact Mass347.06
IUPAC Name4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
SMILESCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)c1cccc(F)c1
InChIInChI=1S/C15H11ClFN5O2/c1-20(11-6-4-5-10(17)9-11)14(23)22-15(24)21(18-19-22)13-8-3-2-7-12(13)16/h2-9H,1H3
InChIKeyNOPCYNZHBBTHON-UHFFFAOYSA-N
XLogP2.33
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.74
LogP ≤ 52.33
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-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide (CID 58502392) is 4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide is CN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)c1cccc(F)c1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
The InChIKey is NOPCYNZHBBTHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O2/c1-20(11-6-4-5-10(17)9-11)14(23)22-15(24)21(18-19-22)13-8-3-2-7-12(13)16/h2-9H,1H3.
What are the key properties of 4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide has a molecular weight of 347.74 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 58502392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).