N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide

C16H12F3N5O2 — CID 135358004

IUPACN-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)13-7-5-11(6-8-13)14-20-23-24(21-14)9-10-1-3-12(4-2-10)15(25)22-26/h1-8,26H,9H2,(H,22,25)
InChIKeyZDZCBKYMNKPPMJ-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.53
Rot. Bonds4

About N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide

N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide (PubChem CID 135358004) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide
PubChem CID135358004
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC NameN-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)13-7-5-11(6-8-13)14-20-23-24(21-14)9-10-1-3-12(4-2-10)15(25)22-26/h1-8,26H,9H2,(H,22,25)
InChIKeyZDZCBKYMNKPPMJ-UHFFFAOYSA-N
XLogP2.53
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135357638
N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 135357401
4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135357457
4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide
CID 135357575
4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide
CID 135357622
N-hydroxy-4-[[5-[4-(pentafluoro-lambda6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide
CID 135357784
N-hydroxy-4-[(5-phenyltetrazol-1-yl)methyl]benzamide
CID 135357870
4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide
CID 135358229
N-hydroxy-4-[[5-[3-(pentafluoro-lambda6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide
CID 135358300
2-(5-Phenyl-tetrazol-2-yl)-1-p-tolyl-ethanone
CID 680769
2-(5-phenyl(1,2,3,4-tetraazol-2-yl))-N-(phenylcarbonylamino)acetamide
CID 855977
4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzamide
CID 497168

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide (CID 135358004) is N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide is O=C(NO)c1ccc(Cn2nnc(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide?
The InChIKey is ZDZCBKYMNKPPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)13-7-5-11(6-8-13)14-20-23-24(21-14)9-10-1-3-12(4-2-10)15(25)22-26/h1-8,26H,9H2,(H,22,25).
What are the key properties of N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide?
N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide has a molecular weight of 363.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide is sourced from PubChem (CID 135358004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).