3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

C16H12F3N5O2 — CID 18158615

IUPAC3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)9-26-14-6-4-12(5-7-14)21-15(25)11-2-1-3-13(8-11)24-10-20-22-23-24/h1-8,10H,9H2,(H,21,25)
InChIKeyXRXYWKGYLIFZGR-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.86
Rot. Bonds5

About 3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 18158615) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID18158615
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC Name3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)9-26-14-6-4-12(5-7-14)21-15(25)11-2-1-3-13(8-11)24-10-20-22-23-24/h1-8,10H,9H2,(H,21,25)
InChIKeyXRXYWKGYLIFZGR-UHFFFAOYSA-N
XLogP2.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134002005
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide
CID 17468094
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide
CID 4968506
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464
methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
CID 122303073

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 18158615) is 3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is XRXYWKGYLIFZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)9-26-14-6-4-12(5-7-14)21-15(25)11-2-1-3-13(8-11)24-10-20-22-23-24/h1-8,10H,9H2,(H,21,25).
What are the key properties of 3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 363.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 18158615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).