N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide

C22H24F3N5O — CID 122640750

IUPACN-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H24F3N5O/c1-13(2)19-27-28-29-30(19)18-11-15(10-16(12-18)20(31)26-21(3,4)5)14-6-8-17(9-7-14)22(23,24)25/h6-13H,1-5H3,(H,26,31)
InChIKeyRROZBHHGIIHITD-UHFFFAOYSA-N
MW431.46 g/mol
LogP5.00
Rot. Bonds4

About N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide

N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 122640750) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID122640750
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC NameN-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H24F3N5O/c1-13(2)19-27-28-29-30(19)18-11-15(10-16(12-18)20(31)26-21(3,4)5)14-6-8-17(9-7-14)22(23,24)25/h6-13H,1-5H3,(H,26,31)
InChIKeyRROZBHHGIIHITD-UHFFFAOYSA-N
XLogP5.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide (CID 122640750) is N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide is CC(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RROZBHHGIIHITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O/c1-13(2)19-27-28-29-30(19)18-11-15(10-16(12-18)20(31)26-21(3,4)5)14-6-8-17(9-7-14)22(23,24)25/h6-13H,1-5H3,(H,26,31).
What are the key properties of N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide?
N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 431.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(5-propan-2-yltetrazol-1-yl)-5-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 122640750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).