N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide

C18H19ClN2O6 — CID 4805458

IUPACN'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H19ClN2O6/c1-24-13-6-5-11(19)9-12(13)18(23)21-20-17(22)10-7-14(25-2)16(27-4)15(8-10)26-3/h5-9H,1-4H3,(H,20,22)(H,21,23)
InChIKeyOIUMNRZYUOSOPB-UHFFFAOYSA-N
MW394.81 g/mol
LogP2.45
Rot. Bonds6

About N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide

N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide (PubChem CID 4805458) has the molecular formula C18H19ClN2O6 and a molecular weight of 394.81 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
PubChem CID4805458
Molecular FormulaC18H19ClN2O6
Molecular Weight394.81 g/mol
Exact Mass394.09
IUPAC NameN'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H19ClN2O6/c1-24-13-6-5-11(19)9-12(13)18(23)21-20-17(22)10-7-14(25-2)16(27-4)15(8-10)26-3/h5-9H,1-4H3,(H,20,22)(H,21,23)
InChIKeyOIUMNRZYUOSOPB-UHFFFAOYSA-N
XLogP2.45
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 52.45
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

N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 9084627
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide
CID 2091608
5-chloro-N'-(3,5-dimethylbenzoyl)-2-methoxybenzohydrazide
CID 2469214
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2818575
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
2,6-dichloro-N'-(5-chloro-2-methoxybenzoyl)benzohydrazide
CID 78775260
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126005822
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide (CID 4805458) is N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide?
The InChIKey is OIUMNRZYUOSOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6/c1-24-13-6-5-11(19)9-12(13)18(23)21-20-17(22)10-7-14(25-2)16(27-4)15(8-10)26-3/h5-9H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide?
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide has a molecular weight of 394.81 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 4805458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).