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

C24H20F3N5O — CID 118737169

IUPACN-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCCCc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C24H20F3N5O/c1-2-5-16-8-14-19(15-9-16)32-30-22(29-31-32)20-6-3-4-7-21(20)28-23(33)17-10-12-18(13-11-17)24(25,26)27/h3-4,6-15H,2,5H2,1H3,(H,28,33)
InChIKeyCKQSSOPGRVRUCH-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.55
Rot. Bonds6

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

N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 118737169) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID118737169
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC NameN-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCCCc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C24H20F3N5O/c1-2-5-16-8-14-19(15-9-16)32-30-22(29-31-32)20-6-3-4-7-21(20)28-23(33)17-10-12-18(13-11-17)24(25,26)27/h3-4,6-15H,2,5H2,1H3,(H,28,33)
InChIKeyCKQSSOPGRVRUCH-UHFFFAOYSA-N
XLogP5.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)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

Andolast
CID 65970
2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1452544
4-nitro-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide
CID 118737162
N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-nitrobenzamide
CID 118737164
N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 118737171
3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134129908
2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134129976
N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130015
4-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130497
N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide
CID 134131281
N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide
CID 134131521
N-[2-(2-phenyltetrazol-5-yl)phenyl]naphthalene-1-carboxamide
CID 145973867

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 118737169) is N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide is CCCc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is CKQSSOPGRVRUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-2-5-16-8-14-19(15-9-16)32-30-22(29-31-32)20-6-3-4-7-21(20)28-23(33)17-10-12-18(13-11-17)24(25,26)27/h3-4,6-15H,2,5H2,1H3,(H,28,33).
What are the key properties of N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 451.45 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118737169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).