5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

C15H9F4N5O — CID 42569473

IUPAC5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C15H9F4N5O/c16-10-4-5-13(24-8-20-22-23-24)12(7-10)14(25)21-11-3-1-2-9(6-11)15(17,18)19/h1-8H,(H,21,25)
InChIKeyPGDSSBVMDHKUPO-UHFFFAOYSA-N
MW351.26 g/mol
LogP3.07
Rot. Bonds3

About 5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 42569473) has the molecular formula C15H9F4N5O and a molecular weight of 351.26 g/mol. Its IUPAC name is 5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID42569473
Molecular FormulaC15H9F4N5O
Molecular Weight351.26 g/mol
Exact Mass351.07
IUPAC Name5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C15H9F4N5O/c16-10-4-5-13(24-8-20-22-23-24)12(7-10)14(25)21-11-3-1-2-9(6-11)15(17,18)19/h1-8H,(H,21,25)
InChIKeyPGDSSBVMDHKUPO-UHFFFAOYSA-N
XLogP3.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582130
5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 42571629
5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 29127859
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29136943
N-(1H-benzimidazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 42536421
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42535796
N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2472286
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55564171
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide
CID 42568845

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 42569473) is 5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of 5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is PGDSSBVMDHKUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N5O/c16-10-4-5-13(24-8-20-22-23-24)12(7-10)14(25)21-11-3-1-2-9(6-11)15(17,18)19/h1-8H,(H,21,25).
What are the key properties of 5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 351.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 42569473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).