N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine

C20H18BrN3O — CID 154041535

IUPACN-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine
SMILESCc1ccccc1[C@H](CC(=NO)c1ccnnc1)c1ccc(Br)cc1
InChIInChI=1S/C20H18BrN3O/c1-14-4-2-3-5-18(14)19(15-6-8-17(21)9-7-15)12-20(24-25)16-10-11-22-23-13-16/h2-11,13,19,25H,12H2,1H3/t19-/m1/s1
InChIKeyZOWDJZOQJOMXOU-LJQANCHMSA-N
MW396.29 g/mol
LogP4.95
Rot. Bonds5

About N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine

N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine (PubChem CID 154041535) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine
PubChem CID154041535
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine
SMILESCc1ccccc1[C@H](CC(=NO)c1ccnnc1)c1ccc(Br)cc1
InChIInChI=1S/C20H18BrN3O/c1-14-4-2-3-5-18(14)19(15-6-8-17(21)9-7-15)12-20(24-25)16-10-11-22-23-13-16/h2-11,13,19,25H,12H2,1H3/t19-/m1/s1
InChIKeyZOWDJZOQJOMXOU-LJQANCHMSA-N
XLogP4.95
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine 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

[4-[4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-pyridazin-4-ylpropyl]phenyl]phenyl] hydrogen carbonate
CID 136988106
5-[C-[(2S)-2-(4-bromophenyl)-2-(2-methylphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-methylpyrimidin-2-one
CID 173006381
N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine
CID 76671396
(NE)-N-[(4R)-4-(4-bromophenyl)-4-(2-methylphenyl)-1-pyridin-2-ylbutan-2-ylidene]hydroxylamine
CID 58043626
5-[(E)-C-[2-(4-bromophenyl)-2-(2-methylphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-(cyclopropylmethyl)pyridin-2-one
CID 58043283
5-[(Z)-C-[2-(4-bromophenyl)-2-(2-methylphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-cyclobutylpyridin-2-one
CID 58043431
3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
CID 67015622
N-[3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-(4-methylsulfonylphenyl)propylidene]hydroxylamine
CID 173039118
4-[4-[(1S)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 140573965
N-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-(oxan-4-yl)propylidene]hydroxylamine
CID 78110471
N-[1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propylidene]hydroxylamine
CID 76671564
N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine
CID 174727656

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine?
The IUPAC name of N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine (CID 154041535) is N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine.
What is the SMILES notation for N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine?
The canonical SMILES for N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine is Cc1ccccc1[C@H](CC(=NO)c1ccnnc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine?
The InChIKey is ZOWDJZOQJOMXOU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-4-2-3-5-18(14)19(15-6-8-17(21)9-7-15)12-20(24-25)16-10-11-22-23-13-16/h2-11,13,19,25H,12H2,1H3/t19-/m1/s1.
What are the key properties of N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine?
N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine has a molecular weight of 396.29 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine is sourced from PubChem (CID 154041535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).