N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide

C18H19BrN2O3 — CID 3139327

IUPACN'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-13-7-9-16(15(19)11-13)24-12-18(23)21-20-17(22)10-8-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHIUGSAZSQLJZMT-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.92
Rot. Bonds6

About N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide

N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide (PubChem CID 3139327) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide
PubChem CID3139327
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-13-7-9-16(15(19)11-13)24-12-18(23)21-20-17(22)10-8-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHIUGSAZSQLJZMT-UHFFFAOYSA-N
XLogP2.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide?
The IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide (CID 3139327) is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide is Cc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide?
The InChIKey is HIUGSAZSQLJZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-13-7-9-16(15(19)11-13)24-12-18(23)21-20-17(22)10-8-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide?
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide has a molecular weight of 391.27 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-phenylpropanehydrazide is sourced from PubChem (CID 3139327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).