2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide

C22H16Cl2N6O2 — CID 24541848

IUPAC2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Cl)c1Cl)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16Cl2N6O2/c23-18-8-4-7-17(19(18)24)22(32)27-26-21(31)16-11-9-14(10-12-16)13-30-28-20(25-29-30)15-5-2-1-3-6-15/h1-12H,13H2,(H,26,31)(H,27,32)
InChIKeyHZDTVUZPDBJTJK-UHFFFAOYSA-N
MW467.32 g/mol
LogP3.77
Rot. Bonds5

About 2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide

2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide (PubChem CID 24541848) has the molecular formula C22H16Cl2N6O2 and a molecular weight of 467.32 g/mol. Its IUPAC name is 2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide.

Molecular Properties

Compound Name2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
PubChem CID24541848
Molecular FormulaC22H16Cl2N6O2
Molecular Weight467.32 g/mol
Exact Mass466.07
IUPAC Name2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Cl)c1Cl)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16Cl2N6O2/c23-18-8-4-7-17(19(18)24)22(32)27-26-21(31)16-11-9-14(10-12-16)13-30-28-20(25-29-30)15-5-2-1-3-6-15/h1-12H,13H2,(H,26,31)(H,27,32)
InChIKeyHZDTVUZPDBJTJK-UHFFFAOYSA-N
XLogP3.77
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 53.77
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-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24658106
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541850
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 27709841
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55376043
N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide
CID 154859144
N'-[3-(3-chloro-4-methylphenyl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24586128
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide
CID 24541902

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The IUPAC name of 2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide (CID 24541848) is 2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide.
What is the SMILES notation for 2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The canonical SMILES for 2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide is O=C(NNC(=O)c1cccc(Cl)c1Cl)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The InChIKey is HZDTVUZPDBJTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N6O2/c23-18-8-4-7-17(19(18)24)22(32)27-26-21(31)16-11-9-14(10-12-16)13-30-28-20(25-29-30)15-5-2-1-3-6-15/h1-12H,13H2,(H,26,31)(H,27,32).
What are the key properties of 2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide has a molecular weight of 467.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide is sourced from PubChem (CID 24541848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).