4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide

C15H12F2N6O2 — CID 135357622

IUPAC4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide
SMILESNc1ccc(-c2nnn(Cc3c(F)cc(C(=O)NO)cc3F)n2)cc1
InChIInChI=1S/C15H12F2N6O2/c16-12-5-9(15(24)21-25)6-13(17)11(12)7-23-20-14(19-22-23)8-1-3-10(18)4-2-8/h1-6,25H,7,18H2,(H,21,24)
InChIKeyLHBOAIADGXZNHD-UHFFFAOYSA-N
MW346.30 g/mol
LogP1.37
Rot. Bonds4

About 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide

4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide (PubChem CID 135357622) has the molecular formula C15H12F2N6O2 and a molecular weight of 346.30 g/mol. Its IUPAC name is 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide
PubChem CID135357622
Molecular FormulaC15H12F2N6O2
Molecular Weight346.30 g/mol
Exact Mass346.10
IUPAC Name4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide
SMILESNc1ccc(-c2nnn(Cc3c(F)cc(C(=O)NO)cc3F)n2)cc1
InChIInChI=1S/C15H12F2N6O2/c16-12-5-9(15(24)21-25)6-13(17)11(12)7-23-20-14(19-22-23)8-1-3-10(18)4-2-8/h1-6,25H,7,18H2,(H,21,24)
InChIKeyLHBOAIADGXZNHD-UHFFFAOYSA-N
XLogP1.37
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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
N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide
CID 135358004
4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide
CID 135358229
Benzoic acid N'-{2-[5-(4-nitro-phenyl)-tetrazol-2-yl]-acetyl}-hydrazide
CID 1129876
N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-fluorobenzamide
CID 1440016
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-p-tolyl-ethanone
CID 1463683
N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide
CID 1440018
4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135357648
4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135358189
4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide
CID 135358302

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide?
The IUPAC name of 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide (CID 135357622) is 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide?
The canonical SMILES for 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide is Nc1ccc(-c2nnn(Cc3c(F)cc(C(=O)NO)cc3F)n2)cc1.
What is the InChIKey of 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide?
The InChIKey is LHBOAIADGXZNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N6O2/c16-12-5-9(15(24)21-25)6-13(17)11(12)7-23-20-14(19-22-23)8-1-3-10(18)4-2-8/h1-6,25H,7,18H2,(H,21,24).
What are the key properties of 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide?
4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide has a molecular weight of 346.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide is sourced from PubChem (CID 135357622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).