2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C17H14F3N5O2 — CID 51284749

IUPAC2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)27-14-9-5-4-8-13(14)10-21-15(26)11-25-23-16(22-24-25)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,26)
InChIKeyHOSMWVOCTQWSMM-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.56
Rot. Bonds6

About 2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 51284749) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID51284749
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)27-14-9-5-4-8-13(14)10-21-15(26)11-25-23-16(22-24-25)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,26)
InChIKeyHOSMWVOCTQWSMM-UHFFFAOYSA-N
XLogP2.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 644968
2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 39470681
2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 7963815
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 75414451
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 90648596
2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1454693
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 51284749) is 2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is HOSMWVOCTQWSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c18-17(19,20)27-14-9-5-4-8-13(14)10-21-15(26)11-25-23-16(22-24-25)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,26).
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 377.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 51284749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).