2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide

C15H10F3N5O2 — CID 8933285

IUPAC2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H10F3N5O2/c16-15(17,18)25-11-7-5-10(6-8-11)20-14(24)12-3-1-2-4-13(12)23-9-19-21-22-23/h1-9H,(H,20,24)
InChIKeyKCAZQUMKSJCIGV-UHFFFAOYSA-N
MW349.27 g/mol
LogP2.81
Rot. Bonds4

About 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide

2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 8933285) has the molecular formula C15H10F3N5O2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID8933285
Molecular FormulaC15H10F3N5O2
Molecular Weight349.27 g/mol
Exact Mass349.08
IUPAC Name2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H10F3N5O2/c16-15(17,18)25-11-7-5-10(6-8-11)20-14(24)12-3-1-2-4-13(12)23-9-19-21-22-23/h1-9H,(H,20,24)
InChIKeyKCAZQUMKSJCIGV-UHFFFAOYSA-N
XLogP2.81
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 8933285) is 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1-n1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is KCAZQUMKSJCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O2/c16-15(17,18)25-11-7-5-10(6-8-11)20-14(24)12-3-1-2-4-13(12)23-9-19-21-22-23/h1-9H,(H,20,24).
What are the key properties of 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 349.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 8933285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).