4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide

C20H16ClN3O3 — CID 11451854

IUPAC4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
SMILESCc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H16ClN3O3/c1-13-12-15(21)4-7-18(13)20(26)24-23-19(25)14-2-5-16(6-3-14)27-17-8-10-22-11-9-17/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyZSJYNUFMFLWAQK-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.91
Rot. Bonds4

About 4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide

4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide (PubChem CID 11451854) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
PubChem CID11451854
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
SMILESCc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H16ClN3O3/c1-13-12-15(21)4-7-18(13)20(26)24-23-19(25)14-2-5-16(6-3-14)27-17-8-10-22-11-9-17/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyZSJYNUFMFLWAQK-UHFFFAOYSA-N
XLogP3.91
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11199895
3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11349148
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 11441514
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
2,4-dichloro-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 4952081
N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide
CID 58858336
5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 11199849
4-chloro-N'-(4-chlorobenzoyl)-2-fluorobenzohydrazide
CID 9075928
N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
2,4-dichloro-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744744

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
The IUPAC name of 4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide (CID 11451854) is 4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide.
What is the SMILES notation for 4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
The canonical SMILES for 4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide is Cc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
The InChIKey is ZSJYNUFMFLWAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-13-12-15(21)4-7-18(13)20(26)24-23-19(25)14-2-5-16(6-3-14)27-17-8-10-22-11-9-17/h2-12H,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide has a molecular weight of 381.82 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide is sourced from PubChem (CID 11451854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).