2-amino-6-bromo-N-methylbenzohydrazide;ethane

C12H22BrN3O — CID 145124987

IUPAC2-amino-6-bromo-N-methylbenzohydrazide;ethane
SMILESCC.CC.CN(N)C(=O)c1c(N)cccc1Br
InChIInChI=1S/C8H10BrN3O.2C2H6/c1-12(11)8(13)7-5(9)3-2-4-6(7)10;2*1-2/h2-4H,10-11H2,1H3;2*1-2H3
InChIKeyLNVOSJAFOOLMSI-UHFFFAOYSA-N
MW304.23 g/mol
LogP3.03
Rot. Bonds1

About 2-amino-6-bromo-N-methylbenzohydrazide;ethane

2-amino-6-bromo-N-methylbenzohydrazide;ethane (PubChem CID 145124987) has the molecular formula C12H22BrN3O and a molecular weight of 304.23 g/mol. Its IUPAC name is 2-amino-6-bromo-N-methylbenzohydrazide;ethane.

Molecular Properties

Compound Name2-amino-6-bromo-N-methylbenzohydrazide;ethane
PubChem CID145124987
Molecular FormulaC12H22BrN3O
Molecular Weight304.23 g/mol
Exact Mass303.09
IUPAC Name2-amino-6-bromo-N-methylbenzohydrazide;ethane
SMILESCC.CC.CN(N)C(=O)c1c(N)cccc1Br
InChIInChI=1S/C8H10BrN3O.2C2H6/c1-12(11)8(13)7-5(9)3-2-4-6(7)10;2*1-2/h2-4H,10-11H2,1H3;2*1-2H3
InChIKeyLNVOSJAFOOLMSI-UHFFFAOYSA-N
XLogP3.03
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-N-methylbenzohydrazide;ethane?
The IUPAC name of 2-amino-6-bromo-N-methylbenzohydrazide;ethane (CID 145124987) is 2-amino-6-bromo-N-methylbenzohydrazide;ethane.
What is the SMILES notation for 2-amino-6-bromo-N-methylbenzohydrazide;ethane?
The canonical SMILES for 2-amino-6-bromo-N-methylbenzohydrazide;ethane is CC.CC.CN(N)C(=O)c1c(N)cccc1Br.
What is the InChIKey of 2-amino-6-bromo-N-methylbenzohydrazide;ethane?
The InChIKey is LNVOSJAFOOLMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O.2C2H6/c1-12(11)8(13)7-5(9)3-2-4-6(7)10;2*1-2/h2-4H,10-11H2,1H3;2*1-2H3.
What are the key properties of 2-amino-6-bromo-N-methylbenzohydrazide;ethane?
2-amino-6-bromo-N-methylbenzohydrazide;ethane has a molecular weight of 304.23 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-N-methylbenzohydrazide;ethane is sourced from PubChem (CID 145124987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).