3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide

C15H12F2N6O2 — CID 135357479

IUPAC3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(Cc3ccccn3)n2)c(F)c1
InChIInChI=1S/C15H12F2N6O2/c16-12-5-9(15(24)21-25)6-13(17)11(12)8-23-20-14(19-22-23)7-10-3-1-2-4-18-10/h1-6,25H,7-8H2,(H,21,24)
InChIKeyRDELMWQNFVZMTE-UHFFFAOYSA-N
MW346.30 g/mol
LogP1.10
Rot. Bonds5

About 3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide

3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide (PubChem CID 135357479) has the molecular formula C15H12F2N6O2 and a molecular weight of 346.30 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
PubChem CID135357479
Molecular FormulaC15H12F2N6O2
Molecular Weight346.30 g/mol
Exact Mass346.10
IUPAC Name3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(Cc3ccccn3)n2)c(F)c1
InChIInChI=1S/C15H12F2N6O2/c16-12-5-9(15(24)21-25)6-13(17)11(12)8-23-20-14(19-22-23)7-10-3-1-2-4-18-10/h1-6,25H,7-8H2,(H,21,24)
InChIKeyRDELMWQNFVZMTE-UHFFFAOYSA-N
XLogP1.10
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide
CID 155534057
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
3''''-Fluoro-5''''-(5-pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-carboxylic acid amide
CID 44395645
3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide
CID 135357280
3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide
CID 135357406
N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide
CID 135357495
3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide
CID 135357634
N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide
CID 135357654
N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide
CID 135357695
3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 135357794
N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
CID 142452243
1-(4-Fluoro-phenyl)-4-(5-pyridin-3-yl-tetrazol-2-yl)-butan-1-one
CID 644806

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide (CID 135357479) is 3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide is O=C(NO)c1cc(F)c(Cn2nnc(Cc3ccccn3)n2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide?
The InChIKey is RDELMWQNFVZMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N6O2/c16-12-5-9(15(24)21-25)6-13(17)11(12)8-23-20-14(19-22-23)7-10-3-1-2-4-18-10/h1-6,25H,7-8H2,(H,21,24).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide?
3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide has a molecular weight of 346.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide is sourced from PubChem (CID 135357479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).