4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide

C10H13BrN2O2 — CID 83015811

IUPAC4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide
SMILESCOc1cc(Br)ccc1C(=O)NN(C)C
InChIInChI=1S/C10H13BrN2O2/c1-13(2)12-10(14)8-5-4-7(11)6-9(8)15-3/h4-6H,1-3H3,(H,12,14)
InChIKeyYPZQSHGRFDVPBR-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.66
Rot. Bonds3

About 4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide

4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide (PubChem CID 83015811) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide
PubChem CID83015811
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide
SMILESCOc1cc(Br)ccc1C(=O)NN(C)C
InChIInChI=1S/C10H13BrN2O2/c1-13(2)12-10(14)8-5-4-7(11)6-9(8)15-3/h4-6H,1-3H3,(H,12,14)
InChIKeyYPZQSHGRFDVPBR-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.66
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

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4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide
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[(4-bromo-2-methoxybenzoyl)amino] 2,2-dimethylpropanoate
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4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide?
The IUPAC name of 4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide (CID 83015811) is 4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide is COc1cc(Br)ccc1C(=O)NN(C)C.
What is the InChIKey of 4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide?
The InChIKey is YPZQSHGRFDVPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-13(2)12-10(14)8-5-4-7(11)6-9(8)15-3/h4-6H,1-3H3,(H,12,14).
What are the key properties of 4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide?
4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide has a molecular weight of 273.13 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 83015811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).