3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide

C23H25F3N6O2 — CID 76643050

IUPAC3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN3CCOCC3)cc(-n3nnnc3C(F)(F)F)c2)cc1
InChIInChI=1S/C23H25F3N6O2/c1-15-3-5-17(6-4-15)18-11-19(21(33)27-16(2)14-31-7-9-34-10-8-31)13-20(12-18)32-22(23(24,25)26)28-29-30-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H,27,33)
InChIKeyLGIYBENKMRCBSP-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.11
Rot. Bonds6

About 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide

3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide (PubChem CID 76643050) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
PubChem CID76643050
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC Name3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN3CCOCC3)cc(-n3nnnc3C(F)(F)F)c2)cc1
InChIInChI=1S/C23H25F3N6O2/c1-15-3-5-17(6-4-15)18-11-19(21(33)27-16(2)14-31-7-9-34-10-8-31)13-20(12-18)32-22(23(24,25)26)28-29-30-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H,27,33)
InChIKeyLGIYBENKMRCBSP-UHFFFAOYSA-N
XLogP3.11
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-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

Related Compounds

3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 76643046
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide
CID 76643078
N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76642993
3-(4-methylphenyl)-N-[(2S)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 44599894
3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 76643056
[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate
CID 122505964
3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 69004303
N-tert-butyl-3-(4-chlorophenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 122640864
N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90728432
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
3-(2-chloro-4-fluorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(5-methyltetrazol-1-yl)benzamide
CID 76643022
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide?
The IUPAC name of 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide (CID 76643050) is 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide is Cc1ccc(-c2cc(C(=O)NC(C)CN3CCOCC3)cc(-n3nnnc3C(F)(F)F)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide?
The InChIKey is LGIYBENKMRCBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-15-3-5-17(6-4-15)18-11-19(21(33)27-16(2)14-31-7-9-34-10-8-31)13-20(12-18)32-22(23(24,25)26)28-29-30-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H,27,33).
What are the key properties of 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide?
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide has a molecular weight of 474.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide is sourced from PubChem (CID 76643050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).