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

C15H10F3N5O — CID 6465386

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)11-5-1-4-10(7-11)14(24)19-12-6-2-3-9(8-12)13-20-22-23-21-13/h1-8H,(H,19,24)(H,20,21,22,23)
InChIKeyDVYVZPGHRBVPAG-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.14
Rot. Bonds3

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

N-[3-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 6465386) 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]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID6465386
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)11-5-1-4-10(7-11)14(24)19-12-6-2-3-9(8-12)13-20-22-23-21-13/h1-8H,(H,19,24)(H,20,21,22,23)
InChIKeyDVYVZPGHRBVPAG-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 6465386) is N-[3-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is DVYVZPGHRBVPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-15(17,18)11-5-1-4-10(7-11)14(24)19-12-6-2-3-9(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]-3-(trifluoromethyl)benzamide?
N-[3-(2H-tetrazol-5-yl)phenyl]-3-(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]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 6465386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).