4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide

C18H15F3N6O2 — CID 2808670

IUPAC4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C18H15F3N6O2/c1-11-6-8-12(9-7-11)17(29)24-22-15(28)10-27-25-16(23-26-27)13-4-2-3-5-14(13)18(19,20)21/h2-9H,10H2,1H3,(H,22,28)(H,24,29)
InChIKeyGAHJZKQIKYNWLK-UHFFFAOYSA-N
MW404.35 g/mol
LogP2.13
Rot. Bonds4

About 4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide

4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide (PubChem CID 2808670) has the molecular formula C18H15F3N6O2 and a molecular weight of 404.35 g/mol. Its IUPAC name is 4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide
PubChem CID2808670
Molecular FormulaC18H15F3N6O2
Molecular Weight404.35 g/mol
Exact Mass404.12
IUPAC Name4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C18H15F3N6O2/c1-11-6-8-12(9-7-11)17(29)24-22-15(28)10-27-25-16(23-26-27)13-4-2-3-5-14(13)18(19,20)21/h2-9H,10H2,1H3,(H,22,28)(H,24,29)
InChIKeyGAHJZKQIKYNWLK-UHFFFAOYSA-N
XLogP2.13
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide?
The IUPAC name of 4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide (CID 2808670) is 4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide.
What is the SMILES notation for 4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide?
The canonical SMILES for 4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide is Cc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3C(F)(F)F)n2)cc1.
What is the InChIKey of 4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide?
The InChIKey is GAHJZKQIKYNWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2/c1-11-6-8-12(9-7-11)17(29)24-22-15(28)10-27-25-16(23-26-27)13-4-2-3-5-14(13)18(19,20)21/h2-9H,10H2,1H3,(H,22,28)(H,24,29).
What are the key properties of 4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide?
4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide has a molecular weight of 404.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]benzohydrazide is sourced from PubChem (CID 2808670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).