4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C11H10F3N5O2 — CID 103755862

IUPAC4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)8(20)5-15-10(21)7-3-1-6(2-4-7)9-16-18-19-17-9/h1-4,8,20H,5H2,(H,15,21)(H,16,17,18,19)
InChIKeyAHYMJOFNMIPDTF-UHFFFAOYSA-N
MW301.23 g/mol
LogP0.52
Rot. Bonds4

About 4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103755862) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103755862
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)8(20)5-15-10(21)7-3-1-6(2-4-7)9-16-18-19-17-9/h1-4,8,20H,5H2,(H,15,21)(H,16,17,18,19)
InChIKeyAHYMJOFNMIPDTF-UHFFFAOYSA-N
XLogP0.52
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 127041189
N-(2,2,3,3,4,4,4-Heptafluorobutyl)-4-[(2H-tetrazol-5-yl)methyl]benzamide
CID 44384935
4-[2-(1H-tetrazol-5-yl)benzoyl]-2-(trifluoromethyl)morpholine
CID 56871201
[4-(difluoromethyl)-3-fluorophenyl]-[(2S)-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 164642613
4-[2-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]tetrazol-5-yl]benzamide
CID 8262586
4-(2H-tetrazol-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17522595
N-[2-(3-fluorophenyl)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 31738304
N-[(4-fluorophenyl)methyl]-4-(2H-tetrazol-5-yl)benzamide
CID 32745964
N-[(3-fluoro-4-methylphenyl)methyl]-4-(2H-tetrazol-5-yl)benzamide
CID 34486843
N-[2-[4-(5-phenyltetrazol-2-yl)butanoylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 56259029
N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 56822019
N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 60930417

Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103755862) is 4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is O=C(NCC(O)C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is AHYMJOFNMIPDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c12-11(13,14)8(20)5-15-10(21)7-3-1-6(2-4-7)9-16-18-19-17-9/h1-4,8,20H,5H2,(H,15,21)(H,16,17,18,19).
What are the key properties of 4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 301.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103755862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).