N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide

C15H10ClF2N5O2 — CID 58502366

IUPACN-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
SMILESCN(C(=O)n1nnn(-c2c(F)cccc2F)c1=O)c1ccccc1Cl
InChIInChI=1S/C15H10ClF2N5O2/c1-21(12-8-3-2-5-9(12)16)14(24)23-15(25)22(19-20-23)13-10(17)6-4-7-11(13)18/h2-8H,1H3
InChIKeyFIQOAYHEZPYRPJ-UHFFFAOYSA-N
MW365.73 g/mol
LogP2.47
Rot. Bonds2

About N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide

N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide (PubChem CID 58502366) has the molecular formula C15H10ClF2N5O2 and a molecular weight of 365.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
PubChem CID58502366
Molecular FormulaC15H10ClF2N5O2
Molecular Weight365.73 g/mol
Exact Mass365.05
IUPAC NameN-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
SMILESCN(C(=O)n1nnn(-c2c(F)cccc2F)c1=O)c1ccccc1Cl
InChIInChI=1S/C15H10ClF2N5O2/c1-21(12-8-3-2-5-9(12)16)14(24)23-15(25)22(19-20-23)13-10(17)6-4-7-11(13)18/h2-8H,1H3
InChIKeyFIQOAYHEZPYRPJ-UHFFFAOYSA-N
XLogP2.47
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.73
LogP ≤ 52.47
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 N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide (CID 58502366) is N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide is CN(C(=O)n1nnn(-c2c(F)cccc2F)c1=O)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
The InChIKey is FIQOAYHEZPYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N5O2/c1-21(12-8-3-2-5-9(12)16)14(24)23-15(25)22(19-20-23)13-10(17)6-4-7-11(13)18/h2-8H,1H3.
What are the key properties of N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide has a molecular weight of 365.73 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 58502366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).