N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide

C21H18ClN3O3 — CID 24537801

IUPACN'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide
SMILESCc1cc(OCc2ccc(C(=O)NNC(=O)c3ccccn3)cc2)ccc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-14-12-17(9-10-18(14)22)28-13-15-5-7-16(8-6-15)20(26)24-25-21(27)19-4-2-3-11-23-19/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyXBWZIKIZAJFGIH-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.70
Rot. Bonds5

About N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide

N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide (PubChem CID 24537801) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide
PubChem CID24537801
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide
SMILESCc1cc(OCc2ccc(C(=O)NNC(=O)c3ccccn3)cc2)ccc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-14-12-17(9-10-18(14)22)28-13-15-5-7-16(8-6-15)20(26)24-25-21(27)19-4-2-3-11-23-19/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyXBWZIKIZAJFGIH-UHFFFAOYSA-N
XLogP3.70
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.70
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-[(4-chloro-3-methylphenoxy)methyl]-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6263348
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 18289024
1-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-3-(2-methoxyethyl)thiourea
CID 8626240
N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31322107
1-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-3-cyclopropylthiourea
CID 8626251
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55756044
N-[1-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 24658052
N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 30458940
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 24606049
4-[(4-chloro-3-methylphenoxy)methyl]-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135991431
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 7929973
N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide
CID 9331191

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide (CID 24537801) is N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide is Cc1cc(OCc2ccc(C(=O)NNC(=O)c3ccccn3)cc2)ccc1Cl.
What is the InChIKey of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide?
The InChIKey is XBWZIKIZAJFGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-14-12-17(9-10-18(14)22)28-13-15-5-7-16(8-6-15)20(26)24-25-21(27)19-4-2-3-11-23-19/h2-12H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide?
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide has a molecular weight of 395.85 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 24537801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).