5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide

C17H17ClN2O5 — CID 2091608

IUPAC5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C17H17ClN2O5/c1-23-12-6-10(7-13(9-12)24-2)16(21)19-20-17(22)14-8-11(18)4-5-15(14)25-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyAKKVVESGZNWWKK-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.44
Rot. Bonds5

About 5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide

5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide (PubChem CID 2091608) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is 5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide
PubChem CID2091608
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C17H17ClN2O5/c1-23-12-6-10(7-13(9-12)24-2)16(21)19-20-17(22)14-8-11(18)4-5-15(14)25-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyAKKVVESGZNWWKK-UHFFFAOYSA-N
XLogP2.44
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N'-(3,5-dimethylbenzoyl)-2-methoxybenzohydrazide
CID 2469214
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide
CID 8637145
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
2,6-dichloro-N'-(5-chloro-2-methoxybenzoyl)benzohydrazide
CID 78775260
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 9084627
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide?
The IUPAC name of 5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide (CID 2091608) is 5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide.
What is the SMILES notation for 5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide?
The canonical SMILES for 5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)c1.
What is the InChIKey of 5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide?
The InChIKey is AKKVVESGZNWWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-23-12-6-10(7-13(9-12)24-2)16(21)19-20-17(22)14-8-11(18)4-5-15(14)25-3/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide?
5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide has a molecular weight of 364.79 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide is sourced from PubChem (CID 2091608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).