N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide

C24H20F3N5O — CID 134129912

IUPACN-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)c1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C24H20F3N5O/c1-15(2)16-9-13-19(14-10-16)32-30-22(29-31-32)20-5-3-4-6-21(20)28-23(33)17-7-11-18(12-8-17)24(25,26)27/h3-15H,1-2H3,(H,28,33)
InChIKeyMXAZLROUYJXEEN-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.72
Rot. Bonds5

About N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide

N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 134129912) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID134129912
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC NameN-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)c1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C24H20F3N5O/c1-15(2)16-9-13-19(14-10-16)32-30-22(29-31-32)20-5-3-4-6-21(20)28-23(33)17-7-11-18(12-8-17)24(25,26)27/h3-15H,1-2H3,(H,28,33)
InChIKeyMXAZLROUYJXEEN-UHFFFAOYSA-N
XLogP5.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 134129912) is N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide is CC(C)c1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MXAZLROUYJXEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-15(2)16-9-13-19(14-10-16)32-30-22(29-31-32)20-5-3-4-6-21(20)28-23(33)17-7-11-18(12-8-17)24(25,26)27/h3-15H,1-2H3,(H,28,33).
What are the key properties of N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 451.45 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134129912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).