3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide

C13H9F2N7O2 — CID 155534057

IUPAC3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(-c3ncccn3)n2)c(F)c1
InChIInChI=1S/C13H9F2N7O2/c14-9-4-7(13(23)20-24)5-10(15)8(9)6-22-19-12(18-21-22)11-16-2-1-3-17-11/h1-5,24H,6H2,(H,20,23)
InChIKeyIAJVLFQKWJCAML-UHFFFAOYSA-N
MW333.26 g/mol
LogP0.58
Rot. Bonds4

About 3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide

3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide (PubChem CID 155534057) has the molecular formula C13H9F2N7O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide
PubChem CID155534057
Molecular FormulaC13H9F2N7O2
Molecular Weight333.26 g/mol
Exact Mass333.08
IUPAC Name3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(-c3ncccn3)n2)c(F)c1
InChIInChI=1S/C13H9F2N7O2/c14-9-4-7(13(23)20-24)5-10(15)8(9)6-22-19-12(18-21-22)11-16-2-1-3-17-11/h1-5,24H,6H2,(H,20,23)
InChIKeyIAJVLFQKWJCAML-UHFFFAOYSA-N
XLogP0.58
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970375
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
CID 3613559
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 72700180
N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 72700181
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
N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide
CID 135357654
4-[[4-[[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]methyl]-N-hydroxybenzamide
CID 141728829
N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
CID 142452243
4-[5-[2-(Dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 155526266
(5-Amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone
CID 162654445

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide (CID 155534057) is 3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide is O=C(NO)c1cc(F)c(Cn2nnc(-c3ncccn3)n2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide?
The InChIKey is IAJVLFQKWJCAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N7O2/c14-9-4-7(13(23)20-24)5-10(15)8(9)6-22-19-12(18-21-22)11-16-2-1-3-17-11/h1-5,24H,6H2,(H,20,23).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide?
3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide has a molecular weight of 333.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 155534057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).