2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide

C17H17BrN2O4 — CID 51161488

IUPAC2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)COc1ccccc1
InChIInChI=1S/C17H17BrN2O4/c1-12(24-15-9-5-6-13(18)10-15)17(22)20-19-16(21)11-23-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyHUWRVWWYQCLJNR-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.44
Rot. Bonds6

About 2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide

2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide (PubChem CID 51161488) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
PubChem CID51161488
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)COc1ccccc1
InChIInChI=1S/C17H17BrN2O4/c1-12(24-15-9-5-6-13(18)10-15)17(22)20-19-16(21)11-23-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyHUWRVWWYQCLJNR-UHFFFAOYSA-N
XLogP2.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
CID 55789410
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide
CID 4791447
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 9297829
N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
CID 55347940
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide?
The IUPAC name of 2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide (CID 51161488) is 2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)COc1ccccc1.
What is the InChIKey of 2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide?
The InChIKey is HUWRVWWYQCLJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-12(24-15-9-5-6-13(18)10-15)17(22)20-19-16(21)11-23-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide?
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide has a molecular weight of 393.24 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide is sourced from PubChem (CID 51161488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).