N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide

C15H10F3N5O2 — CID 7693248

IUPACN-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N5O2/c16-15(17,18)25-13-6-4-10(5-7-13)14(24)20-11-2-1-3-12(8-11)23-9-19-21-22-23/h1-9H,(H,20,24)
InChIKeyJFWTZRBUVMWCLM-UHFFFAOYSA-N
MW349.27 g/mol
LogP2.81
Rot. Bonds4

About N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide

N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 7693248) has the molecular formula C15H10F3N5O2 and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID7693248
Molecular FormulaC15H10F3N5O2
Molecular Weight349.27 g/mol
Exact Mass349.08
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N5O2/c16-15(17,18)25-13-6-4-10(5-7-13)14(24)20-11-2-1-3-12(8-11)23-9-19-21-22-23/h1-9H,(H,20,24)
InChIKeyJFWTZRBUVMWCLM-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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Related Compounds

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
2,6-dimethoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7711579
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
N-(4-Methoxy-phenyl)-3-tetrazol-1-yl-benzamide
CID 644455
N-(4-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 648414
4-butoxy-3-methoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 8035452
3-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9502972
1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 25396107
N-(5-Acetyl-2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 118633152
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-methoxybenzamide
CID 930814
3,4,5-trimethoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7967921
N-[2-(4-methoxyphenyl)ethyl]-3-(1H-tetrazol-1-yl)benzamide
CID 4880088

Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide (CID 7693248) is N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide is O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is JFWTZRBUVMWCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O2/c16-15(17,18)25-13-6-4-10(5-7-13)14(24)20-11-2-1-3-12(8-11)23-9-19-21-22-23/h1-9H,(H,20,24).
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide?
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)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 N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 7693248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).