N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide

C22H17ClN4O3 — CID 27568166

IUPACN'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c2ccccc12)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C22H17ClN4O3/c23-17-10-4-1-7-14(17)13-30-19-12-6-3-9-16(19)21(28)26-27-22(29)20-15-8-2-5-11-18(15)24-25-20/h1-12H,13H2,(H,24,25)(H,26,28)(H,27,29)
InChIKeyWIHHPOQBIGOFMZ-UHFFFAOYSA-N
MW420.86 g/mol
LogP3.87
Rot. Bonds5

About N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide

N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide (PubChem CID 27568166) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide
PubChem CID27568166
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC NameN'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c2ccccc12)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C22H17ClN4O3/c23-17-10-4-1-7-14(17)13-30-19-12-6-3-9-16(19)21(28)26-27-22(29)20-15-8-2-5-11-18(15)24-25-20/h1-12H,13H2,(H,24,25)(H,26,28)(H,27,29)
InChIKeyWIHHPOQBIGOFMZ-UHFFFAOYSA-N
XLogP3.87
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 26886312
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 2594288
N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 69079053
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide
CID 2367127
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60552718
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide
CID 86219883
N-(2-ethoxyphenyl)-1H-indazole-3-carboxamide
CID 16866355
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 27568145

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide?
The IUPAC name of N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide (CID 27568166) is N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide?
The canonical SMILES for N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide is O=C(NNC(=O)c1n[nH]c2ccccc12)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide?
The InChIKey is WIHHPOQBIGOFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c23-17-10-4-1-7-14(17)13-30-19-12-6-3-9-16(19)21(28)26-27-22(29)20-15-8-2-5-11-18(15)24-25-20/h1-12H,13H2,(H,24,25)(H,26,28)(H,27,29).
What are the key properties of N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide?
N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide has a molecular weight of 420.86 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 27568166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).