N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide

C22H18FN5O2 — CID 70668202

IUPACN-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2-c2ccccc2)c1=O)c1ccccc1
InChIInChI=1S/C22H18FN5O2/c1-2-26(17-12-7-4-8-13-17)21(29)28-22(30)27(24-25-28)20-18(14-9-15-19(20)23)16-10-5-3-6-11-16/h3-15H,2H2,1H3
InChIKeyFFSCCBWLHFXKRO-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.73
Rot. Bonds4

About N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide

N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide (PubChem CID 70668202) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide
PubChem CID70668202
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC NameN-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2-c2ccccc2)c1=O)c1ccccc1
InChIInChI=1S/C22H18FN5O2/c1-2-26(17-12-7-4-8-13-17)21(29)28-22(30)27(24-25-28)20-18(14-9-15-19(20)23)16-10-5-3-6-11-16/h3-15H,2H2,1H3
InChIKeyFFSCCBWLHFXKRO-UHFFFAOYSA-N
XLogP3.73
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.73
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-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide (CID 70668202) is N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2c(F)cccc2-c2ccccc2)c1=O)c1ccccc1.
What is the InChIKey of N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide?
The InChIKey is FFSCCBWLHFXKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-2-26(17-12-7-4-8-13-17)21(29)28-22(30)27(24-25-28)20-18(14-9-15-19(20)23)16-10-5-3-6-11-16/h3-15H,2H2,1H3.
What are the key properties of N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide?
N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide has a molecular weight of 403.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide is sourced from PubChem (CID 70668202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).