3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide

C20H23ClN2O6 — CID 24645296

IUPAC3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Cl)c(OC(C)C)c(OC)c2)cc1OC
InChIInChI=1S/C20H23ClN2O6/c1-11(2)29-18-14(21)8-13(10-17(18)28-5)20(25)23-22-19(24)12-6-7-15(26-3)16(9-12)27-4/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyLSKYEEDAHIFQCQ-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.23
Rot. Bonds7

About 3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide

3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide (PubChem CID 24645296) has the molecular formula C20H23ClN2O6 and a molecular weight of 422.87 g/mol. Its IUPAC name is 3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
PubChem CID24645296
Molecular FormulaC20H23ClN2O6
Molecular Weight422.87 g/mol
Exact Mass422.12
IUPAC Name3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Cl)c(OC(C)C)c(OC)c2)cc1OC
InChIInChI=1S/C20H23ClN2O6/c1-11(2)29-18-14(21)8-13(10-17(18)28-5)20(25)23-22-19(24)12-6-7-15(26-3)16(9-12)27-4/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyLSKYEEDAHIFQCQ-UHFFFAOYSA-N
XLogP3.23
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 26655741
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 41278695
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 46671748
3-chloro-N-(5-chloro-2-pyridinyl)-5-methoxy-4-propan-2-yloxybenzamide
CID 34135778
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide (CID 24645296) is 3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide is COc1ccc(C(=O)NNC(=O)c2cc(Cl)c(OC(C)C)c(OC)c2)cc1OC.
What is the InChIKey of 3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide?
The InChIKey is LSKYEEDAHIFQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O6/c1-11(2)29-18-14(21)8-13(10-17(18)28-5)20(25)23-22-19(24)12-6-7-15(26-3)16(9-12)27-4/h6-11H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide?
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide has a molecular weight of 422.87 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 24645296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).