4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide

C22H17F2N5O2 — CID 58501986

IUPAC4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2F)c1=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H17F2N5O2/c1-2-27(19-14-7-6-11-16(19)15-9-4-3-5-10-15)21(30)29-22(31)28(25-26-29)20-17(23)12-8-13-18(20)24/h3-14H,2H2,1H3
InChIKeyUWSIWJSXMACHOY-UHFFFAOYSA-N
MW421.41 g/mol
LogP3.87
Rot. Bonds4

About 4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide

4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide (PubChem CID 58501986) has the molecular formula C22H17F2N5O2 and a molecular weight of 421.41 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide
PubChem CID58501986
Molecular FormulaC22H17F2N5O2
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2F)c1=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H17F2N5O2/c1-2-27(19-14-7-6-11-16(19)15-9-4-3-5-10-15)21(30)29-22(31)28(25-26-29)20-17(23)12-8-13-18(20)24/h3-14H,2H2,1H3
InChIKeyUWSIWJSXMACHOY-UHFFFAOYSA-N
XLogP3.87
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Related Compounds

CID 60728
CID 60728
CID 215086
CID 215086
CID 573043
CID 573043
CID 17479808
CID 17479808
CID 46256807
CID 46256807
CID 46256815
CID 46256815
CID 1324040
CID 1324040
CID 15457286
CID 15457286
CID 15457287
CID 15457287
CID 15457295
CID 15457295
CID 15457296
CID 15457296
CID 15457322
CID 15457322

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide (CID 58501986) is 4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2c(F)cccc2F)c1=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide?
The InChIKey is UWSIWJSXMACHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O2/c1-2-27(19-14-7-6-11-16(19)15-9-4-3-5-10-15)21(30)29-22(31)28(25-26-29)20-17(23)12-8-13-18(20)24/h3-14H,2H2,1H3.
What are the key properties of 4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide?
4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide has a molecular weight of 421.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-ethyl-5-oxo-N-(2-phenylphenyl)tetrazole-1-carboxamide is sourced from PubChem (CID 58501986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).