2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide

C10H8F2N6O2 — CID 670449

IUPAC2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide
SMILESO=C(Cn1cnnn1)NNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H8F2N6O2/c11-6-1-2-7(8(12)3-6)10(20)15-14-9(19)4-18-5-13-16-17-18/h1-3,5H,4H2,(H,14,19)(H,15,20)
InChIKeyYLLKPODIDPLTHW-UHFFFAOYSA-N
MW282.21 g/mol
LogP-0.59
Rot. Bonds3

About 2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide

2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide (PubChem CID 670449) has the molecular formula C10H8F2N6O2 and a molecular weight of 282.21 g/mol. Its IUPAC name is 2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide
PubChem CID670449
Molecular FormulaC10H8F2N6O2
Molecular Weight282.21 g/mol
Exact Mass282.07
IUPAC Name2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide
SMILESO=C(Cn1cnnn1)NNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H8F2N6O2/c11-6-1-2-7(8(12)3-6)10(20)15-14-9(19)4-18-5-13-16-17-18/h1-3,5H,4H2,(H,14,19)(H,15,20)
InChIKeyYLLKPODIDPLTHW-UHFFFAOYSA-N
XLogP-0.59
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide
CID 43017989
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8890200
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide
CID 17470876
2,4-difluoro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386169
N'-(4-chlorobenzoyl)-2,4-difluorobenzohydrazide
CID 8961402
2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
CID 34549994
N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 4787678
N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
CID 51954474
N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide
CID 75377049
1-[2-(2,4-difluorophenyl)ethyl]tetrazole
CID 166395215

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide?
The IUPAC name of 2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide (CID 670449) is 2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide is O=C(Cn1cnnn1)NNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide?
The InChIKey is YLLKPODIDPLTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N6O2/c11-6-1-2-7(8(12)3-6)10(20)15-14-9(19)4-18-5-13-16-17-18/h1-3,5H,4H2,(H,14,19)(H,15,20).
What are the key properties of 2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide?
2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide has a molecular weight of 282.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 670449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).