3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide

C14H20BrN3O2 — CID 102774549

IUPAC3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide
SMILESCN(Cc1ccc(C(=O)NN)cc1Br)C1CCOCC1
InChIInChI=1S/C14H20BrN3O2/c1-18(12-4-6-20-7-5-12)9-11-3-2-10(8-13(11)15)14(19)17-16/h2-3,8,12H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyBSUYUNMCCYRFNG-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.66
Rot. Bonds4

About 3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide

3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide (PubChem CID 102774549) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide
PubChem CID102774549
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide
SMILESCN(Cc1ccc(C(=O)NN)cc1Br)C1CCOCC1
InChIInChI=1S/C14H20BrN3O2/c1-18(12-4-6-20-7-5-12)9-11-3-2-10(8-13(11)15)14(19)17-16/h2-3,8,12H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyBSUYUNMCCYRFNG-UHFFFAOYSA-N
XLogP1.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-bromo-4-[[methyl(oxolan-3-yl)amino]methyl]benzoate
CID 102768022
N-[(4-amino-2-bromophenyl)methyl]-N-methyloxan-4-amine
CID 60790714
3-bromo-4-[[methyl(pentyl)amino]methyl]benzohydrazide
CID 102774523
4-[[bis(2-hydroxyethyl)amino]methyl]-3-bromobenzohydrazide
CID 102774570
3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
CID 63573326
3-bromo-4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 102774520
1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone
CID 43789493
3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide
CID 102774650
3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide
CID 102774727
3-bromo-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 102774748
3-bromo-4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzohydrazide
CID 102774672
4-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 43611411

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide (CID 102774549) is 3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide is CN(Cc1ccc(C(=O)NN)cc1Br)C1CCOCC1.
What is the InChIKey of 3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide?
The InChIKey is BSUYUNMCCYRFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-18(12-4-6-20-7-5-12)9-11-3-2-10(8-13(11)15)14(19)17-16/h2-3,8,12H,4-7,9,16H2,1H3,(H,17,19).
What are the key properties of 3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide?
3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide has a molecular weight of 342.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide is sourced from PubChem (CID 102774549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).