N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide

C20H16N6O2 — CID 31540991

IUPACN'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H16N6O2/c27-19(12-14-5-6-15-3-1-2-4-17(15)11-14)22-23-20(28)16-7-9-18(10-8-16)26-13-21-24-25-26/h1-11,13H,12H2,(H,22,27)(H,23,28)
InChIKeyUZLCODIPYHUGCH-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.82
Rot. Bonds4

About N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide

N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide (PubChem CID 31540991) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
PubChem CID31540991
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H16N6O2/c27-19(12-14-5-6-15-3-1-2-4-17(15)11-14)22-23-20(28)16-7-9-18(10-8-16)26-13-21-24-25-26/h1-11,13H,12H2,(H,22,27)(H,23,28)
InChIKeyUZLCODIPYHUGCH-UHFFFAOYSA-N
XLogP1.82
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.82
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

4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
CID 30878164
4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
CID 55601488
2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30878039
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide
CID 101082700
2-naphthalen-2-yloxy-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2579424
2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30882374
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide
CID 39429005
4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46636660
4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 29491918

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide?
The IUPAC name of N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide (CID 31540991) is N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide?
The canonical SMILES for N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide is O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide?
The InChIKey is UZLCODIPYHUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-19(12-14-5-6-15-3-1-2-4-17(15)11-14)22-23-20(28)16-7-9-18(10-8-16)26-13-21-24-25-26/h1-11,13H,12H2,(H,22,27)(H,23,28).
What are the key properties of N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide?
N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide has a molecular weight of 372.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide is sourced from PubChem (CID 31540991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).