2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide

C18H19BrN2O2 — CID 4280301

IUPAC2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide
SMILESCC=C(NNC(=O)COc1ccc(C)cc1Br)c1ccccc1
InChIInChI=1S/C18H19BrN2O2/c1-3-16(14-7-5-4-6-8-14)20-21-18(22)12-23-17-10-9-13(2)11-15(17)19/h3-11,20H,12H2,1-2H3,(H,21,22)
InChIKeyNVRWFGCXADQOOI-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.82
Rot. Bonds6

About 2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide

2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide (PubChem CID 4280301) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide
PubChem CID4280301
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide
SMILESCC=C(NNC(=O)COc1ccc(C)cc1Br)c1ccccc1
InChIInChI=1S/C18H19BrN2O2/c1-3-16(14-7-5-4-6-8-14)20-21-18(22)12-23-17-10-9-13(2)11-15(17)19/h3-11,20H,12H2,1-2H3,(H,21,22)
InChIKeyNVRWFGCXADQOOI-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide 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
(2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide
CID 40572245
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 4634264
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-hydroxyphenyl)ethenyl]acetohydrazide
CID 4280300
(2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate
CID 9063804
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-propan-2-yloxybenzohydrazide
CID 17142569
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-3-phenylpropanamide
CID 5089781
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
2-phenylethyl 4-[2-[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 4947014
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide
CID 4280299
2-(2-bromo-4-methylphenoxy)-N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4504422

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide (CID 4280301) is 2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide is CC=C(NNC(=O)COc1ccc(C)cc1Br)c1ccccc1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide?
The InChIKey is NVRWFGCXADQOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-3-16(14-7-5-4-6-8-14)20-21-18(22)12-23-17-10-9-13(2)11-15(17)19/h3-11,20H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide?
2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide has a molecular weight of 375.27 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide is sourced from PubChem (CID 4280301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).