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

C21H14F3N5O — CID 134130371

IUPACN-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)15-12-10-14(11-13-15)20(30)25-18-9-5-4-8-17(18)19-26-28-29(27-19)16-6-2-1-3-7-16/h1-13H,(H,25,30)
InChIKeyHGIDDZPEVSEWTC-UHFFFAOYSA-N
MW409.37 g/mol
LogP4.60
Rot. Bonds4

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

N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 134130371) has the molecular formula C21H14F3N5O and a molecular weight of 409.37 g/mol. Its IUPAC name is N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID134130371
Molecular FormulaC21H14F3N5O
Molecular Weight409.37 g/mol
Exact Mass409.12
IUPAC NameN-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)15-12-10-14(11-13-15)20(30)25-18-9-5-4-8-17(18)19-26-28-29(27-19)16-6-2-1-3-7-16/h1-13H,(H,25,30)
InChIKeyHGIDDZPEVSEWTC-UHFFFAOYSA-N
XLogP4.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-phenyltetrazol-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
3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 6470990
3-Amino-N-[3-(1H-tetrazol-5-yl)-phenyl]-5-trifluoromethyl-benzamide
CID 70688017
N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 6465386
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 134130371) is N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HGIDDZPEVSEWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O/c22-21(23,24)15-12-10-14(11-13-15)20(30)25-18-9-5-4-8-17(18)19-26-28-29(27-19)16-6-2-1-3-7-16/h1-13H,(H,25,30).
What are the key properties of N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 409.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134130371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).