3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide

C17H17ClN2O4 — CID 9475893

IUPAC3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(C)cc2)cc(Cl)c1OC
InChIInChI=1S/C17H17ClN2O4/c1-10-4-6-11(7-5-10)16(21)19-20-17(22)12-8-13(18)15(24-3)14(9-12)23-2/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyJPZPGTHMJRUGBC-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.74
Rot. Bonds4

About 3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide

3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide (PubChem CID 9475893) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
PubChem CID9475893
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(C)cc2)cc(Cl)c1OC
InChIInChI=1S/C17H17ClN2O4/c1-10-4-6-11(7-5-10)16(21)19-20-17(22)12-8-13(18)15(24-3)14(9-12)23-2/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyJPZPGTHMJRUGBC-UHFFFAOYSA-N
XLogP2.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.74
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

3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9366541
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide
CID 2352026
3,4,5-trimethoxy-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9366092
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
CID 24645296
3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide
CID 26120040
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide (CID 9475893) is 3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide is COc1cc(C(=O)NNC(=O)c2ccc(C)cc2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide?
The InChIKey is JPZPGTHMJRUGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10-4-6-11(7-5-10)16(21)19-20-17(22)12-8-13(18)15(24-3)14(9-12)23-2/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide?
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide has a molecular weight of 348.79 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 9475893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).