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

C17H17BrN2O3 — CID 3139325

IUPACN'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3/c18-14-7-9-15(10-8-14)23-12-17(22)20-19-16(21)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,19,21)(H,20,22)
InChIKeySHHHJMSBSKEXAR-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.61
Rot. Bonds6

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

N'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide (PubChem CID 3139325) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide
PubChem CID3139325
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3/c18-14-7-9-15(10-8-14)23-12-17(22)20-19-16(21)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,19,21)(H,20,22)
InChIKeySHHHJMSBSKEXAR-UHFFFAOYSA-N
XLogP2.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.61
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-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide (CID 3139325) is N'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide is O=C(CCc1ccccc1)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide?
The InChIKey is SHHHJMSBSKEXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-14-7-9-15(10-8-14)23-12-17(22)20-19-16(21)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide?
N'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide has a molecular weight of 377.24 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-3-phenylpropanehydrazide is sourced from PubChem (CID 3139325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).