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

C16H12F3N5O — CID 127041189

IUPAC4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)13-4-2-1-3-12(13)9-20-15(25)11-7-5-10(6-8-11)14-21-23-24-22-14/h1-8H,9H2,(H,20,25)(H,21,22,23,24)
InChIKeyIXEJUSMEOWACMB-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.82
Rot. Bonds4

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

4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 127041189) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID127041189
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)13-4-2-1-3-12(13)9-20-15(25)11-7-5-10(6-8-11)14-21-23-24-22-14/h1-8H,9H2,(H,20,25)(H,21,22,23,24)
InChIKeyIXEJUSMEOWACMB-UHFFFAOYSA-N
XLogP2.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 127041189) is 4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is IXEJUSMEOWACMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)13-4-2-1-3-12(13)9-20-15(25)11-7-5-10(6-8-11)14-21-23-24-22-14/h1-8H,9H2,(H,20,25)(H,21,22,23,24).
What are the key properties of 4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 347.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 127041189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).