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

C15H9F5N6O2 — CID 135357973

IUPAC3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(-c3ccc(C(F)(F)F)cn3)n2)c(F)c1
InChIInChI=1S/C15H9F5N6O2/c16-10-3-7(14(27)24-28)4-11(17)9(10)6-26-23-13(22-25-26)12-2-1-8(5-21-12)15(18,19)20/h1-5,28H,6H2,(H,24,27)
InChIKeyQCJAURREOKXNGT-UHFFFAOYSA-N
MW400.27 g/mol
LogP2.20
Rot. Bonds4

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

3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide (PubChem CID 135357973) has the molecular formula C15H9F5N6O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide
PubChem CID135357973
Molecular FormulaC15H9F5N6O2
Molecular Weight400.27 g/mol
Exact Mass400.07
IUPAC Name3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(-c3ccc(C(F)(F)F)cn3)n2)c(F)c1
InChIInChI=1S/C15H9F5N6O2/c16-10-3-7(14(27)24-28)4-11(17)9(10)6-26-23-13(22-25-26)12-2-1-8(5-21-12)15(18,19)20/h1-5,28H,6H2,(H,24,27)
InChIKeyQCJAURREOKXNGT-UHFFFAOYSA-N
XLogP2.20
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 52.20
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
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
N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
CID 142452243
(5-Amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone
CID 162654445
N-hydroxy-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 135567437
(5-Amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 162658409

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide (CID 135357973) is 3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide is O=C(NO)c1cc(F)c(Cn2nnc(-c3ccc(C(F)(F)F)cn3)n2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide?
The InChIKey is QCJAURREOKXNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N6O2/c16-10-3-7(14(27)24-28)4-11(17)9(10)6-26-23-13(22-25-26)12-2-1-8(5-21-12)15(18,19)20/h1-5,28H,6H2,(H,24,27).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide?
3,5-difluoro-N-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide has a molecular weight of 400.27 g/mol, XLogP of 2.20, 4 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-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide is sourced from PubChem (CID 135357973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).