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

C20H16ClN3O3 — CID 11199895

IUPAC5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
SMILESCc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H16ClN3O3/c1-13-2-5-15(21)12-18(13)20(26)24-23-19(25)14-3-6-16(7-4-14)27-17-8-10-22-11-9-17/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyWLPWYAOPNKGHJG-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.91
Rot. Bonds4

About 5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide

5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide (PubChem CID 11199895) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
PubChem CID11199895
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
SMILESCc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H16ClN3O3/c1-13-2-5-15(21)12-18(13)20(26)24-23-19(25)14-3-6-16(7-4-14)27-17-8-10-22-11-9-17/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyWLPWYAOPNKGHJG-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

4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11451854
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
[(5-chloro-2-methylbenzoyl)amino]urea
CID 82890358
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide
CID 58858336
1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea
CID 11314668
5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 11199849
4-[4-[[(3,4-dimethylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11212255
[4-(4-chloro-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 86814208

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
The IUPAC name of 5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide (CID 11199895) is 5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide.
What is the SMILES notation for 5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
The canonical SMILES for 5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide is Cc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
The InChIKey is WLPWYAOPNKGHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-13-2-5-15(21)12-18(13)20(26)24-23-19(25)14-3-6-16(7-4-14)27-17-8-10-22-11-9-17/h2-12H,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
5-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 5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide is sourced from PubChem (CID 11199895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).