5-bromo-2-methoxy-N'-methylbenzohydrazide

C9H11BrN2O2 — CID 116846857

IUPAC5-bromo-2-methoxy-N'-methylbenzohydrazide
SMILESCNNC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C9H11BrN2O2/c1-11-12-9(13)7-5-6(10)3-4-8(7)14-2/h3-5,11H,1-2H3,(H,12,13)
InChIKeyRESYEEPPBPKEQA-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.32
Rot. Bonds3

About 5-bromo-2-methoxy-N'-methylbenzohydrazide

5-bromo-2-methoxy-N'-methylbenzohydrazide (PubChem CID 116846857) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N'-methylbenzohydrazide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N'-methylbenzohydrazide
PubChem CID116846857
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-2-methoxy-N'-methylbenzohydrazide
SMILESCNNC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C9H11BrN2O2/c1-11-12-9(13)7-5-6(10)3-4-8(7)14-2/h3-5,11H,1-2H3,(H,12,13)
InChIKeyRESYEEPPBPKEQA-UHFFFAOYSA-N
XLogP1.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
CID 17094413
5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide
CID 17094573
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide
CID 43822440
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
1-(5-bromo-2-methoxyphenyl)propane-1,2-dione
CID 82132285
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17094423
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N'-methylbenzohydrazide?
The IUPAC name of 5-bromo-2-methoxy-N'-methylbenzohydrazide (CID 116846857) is 5-bromo-2-methoxy-N'-methylbenzohydrazide.
What is the SMILES notation for 5-bromo-2-methoxy-N'-methylbenzohydrazide?
The canonical SMILES for 5-bromo-2-methoxy-N'-methylbenzohydrazide is CNNC(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N'-methylbenzohydrazide?
The InChIKey is RESYEEPPBPKEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-11-12-9(13)7-5-6(10)3-4-8(7)14-2/h3-5,11H,1-2H3,(H,12,13).
What are the key properties of 5-bromo-2-methoxy-N'-methylbenzohydrazide?
5-bromo-2-methoxy-N'-methylbenzohydrazide has a molecular weight of 259.10 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N'-methylbenzohydrazide is sourced from PubChem (CID 116846857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).