N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide

C15H18BrN3O4 — CID 3911009

IUPACN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)c(Br)c1
InChIInChI=1S/C15H18BrN3O4/c1-10-4-5-12(11(16)8-10)23-9-13(20)17-18-14(21)15(22)19-6-2-3-7-19/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyNCKIXZFRMYKXOT-UHFFFAOYSA-N
MW384.23 g/mol
LogP0.91
Rot. Bonds3

About N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide

N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide (PubChem CID 3911009) has the molecular formula C15H18BrN3O4 and a molecular weight of 384.23 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide
PubChem CID3911009
Molecular FormulaC15H18BrN3O4
Molecular Weight384.23 g/mol
Exact Mass383.05
IUPAC NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)c(Br)c1
InChIInChI=1S/C15H18BrN3O4/c1-10-4-5-12(11(16)8-10)23-9-13(20)17-18-14(21)15(22)19-6-2-3-7-19/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyNCKIXZFRMYKXOT-UHFFFAOYSA-N
XLogP0.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide 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

2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 4634264
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
cis-(1S,2R)-2-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 11839049
N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47335620
2-(2-bromo-4-methylphenoxy)-N-[(cyclopropanecarbonylamino)carbamothioyl]acetamide
CID 4504413
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222
2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636543
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-hydroxyphenyl)ethenyl]acetohydrazide
CID 4280300
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide
CID 4280301

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide (CID 3911009) is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide is Cc1ccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide?
The InChIKey is NCKIXZFRMYKXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O4/c1-10-4-5-12(11(16)8-10)23-9-13(20)17-18-14(21)15(22)19-6-2-3-7-19/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide?
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide has a molecular weight of 384.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide is sourced from PubChem (CID 3911009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).