3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide

C18H12F2N6O2 — CID 135357633

IUPAC3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnnc2-c2nccc3ccccc23)c(F)c1
InChIInChI=1S/C18H12F2N6O2/c19-14-7-11(18(27)23-28)8-15(20)13(14)9-26-17(22-24-25-26)16-12-4-2-1-3-10(12)5-6-21-16/h1-8,28H,9H2,(H,23,27)
InChIKeyPKFOLSOUZPYTPC-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.33
Rot. Bonds4

About 3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide

3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide (PubChem CID 135357633) has the molecular formula C18H12F2N6O2 and a molecular weight of 382.33 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide
PubChem CID135357633
Molecular FormulaC18H12F2N6O2
Molecular Weight382.33 g/mol
Exact Mass382.10
IUPAC Name3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnnc2-c2nccc3ccccc23)c(F)c1
InChIInChI=1S/C18H12F2N6O2/c19-14-7-11(18(27)23-28)8-15(20)13(14)9-26-17(22-24-25-26)16-12-4-2-1-3-10(12)5-6-21-16/h1-8,28H,9H2,(H,23,27)
InChIKeyPKFOLSOUZPYTPC-UHFFFAOYSA-N
XLogP2.33
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.33
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''''-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-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide
CID 135357695
N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide
CID 135358197
(5-Amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone
CID 162642852
(5-Amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-2-ylmethanone
CID 162654991
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-hydroxy-benzamide
CID 18771532
2-fluoro-N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]benzamide
CID 132056661
US11066396, Example 327
CID 132257932

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide (CID 135357633) is 3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide is O=C(NO)c1cc(F)c(Cn2nnnc2-c2nccc3ccccc23)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide?
The InChIKey is PKFOLSOUZPYTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6O2/c19-14-7-11(18(27)23-28)8-15(20)13(14)9-26-17(22-24-25-26)16-12-4-2-1-3-10(12)5-6-21-16/h1-8,28H,9H2,(H,23,27).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide?
3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide has a molecular weight of 382.33 g/mol, XLogP of 2.33, 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-isoquinolin-1-yltetrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 135357633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).