4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide

C17H13F3N6O2 — CID 34395340

IUPAC4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H13F3N6O2/c18-17(19,20)13-5-1-11(2-6-13)9-15(27)22-23-16(28)12-3-7-14(8-4-12)26-10-21-24-25-26/h1-8,10H,9H2,(H,22,27)(H,23,28)
InChIKeyMIRALVIQLPGTBL-UHFFFAOYSA-N
MW390.33 g/mol
LogP1.68
Rot. Bonds4

About 4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide

4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide (PubChem CID 34395340) has the molecular formula C17H13F3N6O2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
PubChem CID34395340
Molecular FormulaC17H13F3N6O2
Molecular Weight390.33 g/mol
Exact Mass390.11
IUPAC Name4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H13F3N6O2/c18-17(19,20)13-5-1-11(2-6-13)9-15(27)22-23-16(28)12-3-7-14(8-4-12)26-10-21-24-25-26/h1-8,10H,9H2,(H,22,27)(H,23,28)
InChIKeyMIRALVIQLPGTBL-UHFFFAOYSA-N
XLogP1.68
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 51.68
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

N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
CID 31540991
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55601487
4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
CID 55601488
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55656209
N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 52763841
2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 55632694
N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 56643412
N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119433233
N-[2-(2-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601437
3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27134177

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
The IUPAC name of 4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide (CID 34395340) is 4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
The canonical SMILES for 4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide is O=C(Cc1ccc(C(F)(F)F)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
The InChIKey is MIRALVIQLPGTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2/c18-17(19,20)13-5-1-11(2-6-13)9-15(27)22-23-16(28)12-3-7-14(8-4-12)26-10-21-24-25-26/h1-8,10H,9H2,(H,22,27)(H,23,28).
What are the key properties of 4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide has a molecular weight of 390.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide is sourced from PubChem (CID 34395340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).