3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide

C23H28FN5O — CID 122640776

IUPAC3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)cc(-n2nnnc2C(C)(C)C)c1
InChIInChI=1S/C23H28FN5O/c1-7-23(5,6)25-20(30)17-12-16(15-8-10-18(24)11-9-15)13-19(14-17)29-21(22(2,3)4)26-27-28-29/h8-14H,7H2,1-6H3,(H,25,30)
InChIKeyPFWWVLOENLCWRH-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.68
Rot. Bonds5

About 3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide

3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide (PubChem CID 122640776) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide
PubChem CID122640776
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC Name3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)cc(-n2nnnc2C(C)(C)C)c1
InChIInChI=1S/C23H28FN5O/c1-7-23(5,6)25-20(30)17-12-16(15-8-10-18(24)11-9-15)13-19(14-17)29-21(22(2,3)4)26-27-28-29/h8-14H,7H2,1-6H3,(H,25,30)
InChIKeyPFWWVLOENLCWRH-UHFFFAOYSA-N
XLogP4.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide (CID 122640776) is 3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)cc(-n2nnnc2C(C)(C)C)c1.
What is the InChIKey of 3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is PFWWVLOENLCWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-7-23(5,6)25-20(30)17-12-16(15-8-10-18(24)11-9-15)13-19(14-17)29-21(22(2,3)4)26-27-28-29/h8-14H,7H2,1-6H3,(H,25,30).
What are the key properties of 3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide?
3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 122640776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).