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

C15H10F3N5O — CID 2576586

IUPAC2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)10-5-7-11(8-6-10)20-14(24)12-3-1-2-4-13(12)23-9-19-21-22-23/h1-9H,(H,20,24)
InChIKeyRDEJEOYJDCUFPR-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.93
Rot. Bonds3

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

2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 2576586) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID2576586
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC Name2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)10-5-7-11(8-6-10)20-14(24)12-3-1-2-4-13(12)23-9-19-21-22-23/h1-9H,(H,20,24)
InChIKeyRDEJEOYJDCUFPR-UHFFFAOYSA-N
XLogP2.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-bromophenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 856148
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
4-tert-butyl-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7708843
N-(4-fluorophenyl)-4-(1H-tetrazol-1-ylmethyl)benzamide
CID 712035
N-[4-methyl-3-(1H-tetraazol-1-yl)phenyl]benzamide
CID 855937
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
(2-chlorophenyl)-N-(4-methyl-3-(1,2,3,4-tetraazolyl)phenyl)carboxamide
CID 855980
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
CID 24686426
N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 2462594
N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide
CID 4847179

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 2576586) is 2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1-n1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RDEJEOYJDCUFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-15(17,18)10-5-7-11(8-6-10)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-(trifluoromethyl)phenyl]benzamide?
2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 333.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2576586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).