N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide

C17H17BrN2O5 — CID 17094413

IUPACN'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC)cc1OC
InChIInChI=1S/C17H17BrN2O5/c1-23-13-7-5-11(18)9-12(13)17(22)20-19-16(21)10-4-6-14(24-2)15(8-10)25-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyJGHXWAPROJSEJK-UHFFFAOYSA-N
MW409.24 g/mol
LogP2.55
Rot. Bonds5

About N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide

N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide (PubChem CID 17094413) has the molecular formula C17H17BrN2O5 and a molecular weight of 409.24 g/mol. Its IUPAC name is N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
PubChem CID17094413
Molecular FormulaC17H17BrN2O5
Molecular Weight409.24 g/mol
Exact Mass408.03
IUPAC NameN'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC)cc1OC
InChIInChI=1S/C17H17BrN2O5/c1-23-13-7-5-11(18)9-12(13)17(22)20-19-16(21)10-4-6-14(24-2)15(8-10)25-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyJGHXWAPROJSEJK-UHFFFAOYSA-N
XLogP2.55
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 52.55
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-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857
N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide
CID 17357364
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide
CID 2355027
5-bromo-2-methoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 17094619
5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide
CID 17357345

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide (CID 17094413) is N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC)cc1OC.
What is the InChIKey of N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide?
The InChIKey is JGHXWAPROJSEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O5/c1-23-13-7-5-11(18)9-12(13)17(22)20-19-16(21)10-4-6-14(24-2)15(8-10)25-3/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide?
N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide has a molecular weight of 409.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 17094413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).