N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide

C22H16N6O3 — CID 30878164

IUPACN'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C22H16N6O3/c29-20(11-16-12-31-19-10-7-14-3-1-2-4-18(14)21(16)19)24-25-22(30)15-5-8-17(9-6-15)28-13-23-26-27-28/h1-10,12-13H,11H2,(H,24,29)(H,25,30)
InChIKeyYZNOAGQPGVLOMT-UHFFFAOYSA-N
MW412.41 g/mol
LogP2.57
Rot. Bonds4

About N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide

N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide (PubChem CID 30878164) has the molecular formula C22H16N6O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
PubChem CID30878164
Molecular FormulaC22H16N6O3
Molecular Weight412.41 g/mol
Exact Mass412.13
IUPAC NameN'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C22H16N6O3/c29-20(11-16-12-31-19-10-7-14-3-1-2-4-18(14)21(16)19)24-25-22(30)15-5-8-17(9-6-15)28-13-23-26-27-28/h1-10,12-13H,11H2,(H,24,29)(H,25,30)
InChIKeyYZNOAGQPGVLOMT-UHFFFAOYSA-N
XLogP2.57
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide
CID 29266482
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287
2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 9077912
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021114
2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18126605
2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30878039
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 4728264
N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide
CID 5132781

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide?
The IUPAC name of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide (CID 30878164) is N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide.
What is the SMILES notation for N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide?
The canonical SMILES for N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide is O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide?
The InChIKey is YZNOAGQPGVLOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O3/c29-20(11-16-12-31-19-10-7-14-3-1-2-4-18(14)21(16)19)24-25-22(30)15-5-8-17(9-6-15)28-13-23-26-27-28/h1-10,12-13H,11H2,(H,24,29)(H,25,30).
What are the key properties of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide?
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide has a molecular weight of 412.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide is sourced from PubChem (CID 30878164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).