3-bromo-4-methoxy-N'-methylbenzohydrazide

C9H11BrN2O2 — CID 116846856

IUPAC3-bromo-4-methoxy-N'-methylbenzohydrazide
SMILESCNNC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C9H11BrN2O2/c1-11-12-9(13)6-3-4-8(14-2)7(10)5-6/h3-5,11H,1-2H3,(H,12,13)
InChIKeyYMUAOFPOFVDTDE-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.32
Rot. Bonds3

About 3-bromo-4-methoxy-N'-methylbenzohydrazide

3-bromo-4-methoxy-N'-methylbenzohydrazide (PubChem CID 116846856) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N'-methylbenzohydrazide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N'-methylbenzohydrazide
PubChem CID116846856
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name3-bromo-4-methoxy-N'-methylbenzohydrazide
SMILESCNNC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C9H11BrN2O2/c1-11-12-9(13)6-3-4-8(14-2)7(10)5-6/h3-5,11H,1-2H3,(H,12,13)
InChIKeyYMUAOFPOFVDTDE-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

3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 5119214
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 79672966
1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
CID 5241473
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 115766099
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 82123910
3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62814066

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N'-methylbenzohydrazide?
The IUPAC name of 3-bromo-4-methoxy-N'-methylbenzohydrazide (CID 116846856) is 3-bromo-4-methoxy-N'-methylbenzohydrazide.
What is the SMILES notation for 3-bromo-4-methoxy-N'-methylbenzohydrazide?
The canonical SMILES for 3-bromo-4-methoxy-N'-methylbenzohydrazide is CNNC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-4-methoxy-N'-methylbenzohydrazide?
The InChIKey is YMUAOFPOFVDTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-11-12-9(13)6-3-4-8(14-2)7(10)5-6/h3-5,11H,1-2H3,(H,12,13).
What are the key properties of 3-bromo-4-methoxy-N'-methylbenzohydrazide?
3-bromo-4-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 3-bromo-4-methoxy-N'-methylbenzohydrazide is sourced from PubChem (CID 116846856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).