2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide

C11H15BrN2O2 — CID 116847432

IUPAC2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
SMILESCOc1ccc(CC(=O)NN(C)C)cc1Br
InChIInChI=1S/C11H15BrN2O2/c1-14(2)13-11(15)7-8-4-5-10(16-3)9(12)6-8/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyGODJLIVKBWPRHL-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.59
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide

2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide (PubChem CID 116847432) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
PubChem CID116847432
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
SMILESCOc1ccc(CC(=O)NN(C)C)cc1Br
InChIInChI=1S/C11H15BrN2O2/c1-14(2)13-11(15)7-8-4-5-10(16-3)9(12)6-8/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyGODJLIVKBWPRHL-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847423
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propan-2-one
CID 116553852
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956
2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide
CID 89050069
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
methyl 3-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoate
CID 115174400
3-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-1-methylurea
CID 115192752
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanone
CID 64982207
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
1-(3-bromo-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562954
methyl 3-[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]propanoate
CID 115232567

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide (CID 116847432) is 2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide is COc1ccc(CC(=O)NN(C)C)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
The InChIKey is GODJLIVKBWPRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-14(2)13-11(15)7-8-4-5-10(16-3)9(12)6-8/h4-6H,7H2,1-3H3,(H,13,15).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide has a molecular weight of 287.16 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 116847432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).