2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C17H14F3N5O — CID 17412980

IUPAC2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)13-7-5-12(6-8-13)9-10-21-16(26)14-3-1-2-4-15(14)25-11-22-23-24-25/h1-8,11H,9-10H2,(H,21,26)
InChIKeyQGPVDIXTQYBVRA-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.65
Rot. Bonds5

About 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 17412980) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID17412980
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)13-7-5-12(6-8-13)9-10-21-16(26)14-3-1-2-4-15(14)25-11-22-23-24-25/h1-8,11H,9-10H2,(H,21,26)
InChIKeyQGPVDIXTQYBVRA-UHFFFAOYSA-N
XLogP2.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 29131778
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
2-(1,2,4-triazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119060222
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 52901800
2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594295

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 17412980) is 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1-n1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is QGPVDIXTQYBVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c18-17(19,20)13-7-5-12(6-8-13)9-10-21-16(26)14-3-1-2-4-15(14)25-11-22-23-24-25/h1-8,11H,9-10H2,(H,21,26).
What are the key properties of 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 361.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 17412980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).