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

C15H10F3N5O — CID 7930055

IUPACN-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)11-3-1-10(2-4-11)14(24)20-12-5-7-13(8-6-12)23-9-19-21-22-23/h1-9H,(H,20,24)
InChIKeyLKSCCJAXDKTENF-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.93
Rot. Bonds3

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

N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 7930055) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID7930055
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)11-3-1-10(2-4-11)14(24)20-12-5-7-13(8-6-12)23-9-19-21-22-23/h1-9H,(H,20,24)
InChIKeyLKSCCJAXDKTENF-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

4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9450376
4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17011174
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61295474
4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
CID 31971288
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464
2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 79793593
4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 31957653
N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038170

Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 7930055) is N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is LKSCCJAXDKTENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-15(17,18)11-3-1-10(2-4-11)14(24)20-12-5-7-13(8-6-12)23-9-19-21-22-23/h1-9H,(H,20,24).
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)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 N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 7930055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).