N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide

C15H10F3N5O — CID 9404095

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)11-6-4-9(5-7-11)14(24)19-12-3-1-2-10(8-12)13-20-22-23-21-13/h1-8H,(H,19,24)(H,20,21,22,23)
InChIKeyRIKVNXRNJHFVKJ-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.14
Rot. Bonds3

About N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide

N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 9404095) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID9404095
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)11-6-4-9(5-7-11)14(24)19-12-3-1-2-10(8-12)13-20-22-23-21-13/h1-8H,(H,19,24)(H,20,21,22,23)
InChIKeyRIKVNXRNJHFVKJ-UHFFFAOYSA-N
XLogP3.14
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 166195280
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958210
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-indazole-5-carboxamide
CID 56851706
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17165094
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 115431915
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121036246

Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 9404095) is N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is RIKVNXRNJHFVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-15(17,18)11-6-4-9(5-7-11)14(24)19-12-3-1-2-10(8-12)13-20-22-23-21-13/h1-8H,(H,19,24)(H,20,21,22,23).
What are the key properties of N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 333.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 9404095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).