2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide

C19H21BrN2O5 — CID 55789410

IUPAC2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)COCCOc1ccccc1
InChIInChI=1S/C19H21BrN2O5/c1-14(27-17-9-5-6-15(20)12-17)19(24)22-21-18(23)13-25-10-11-26-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyUYNPPUDUANCMRA-UHFFFAOYSA-N
MW437.29 g/mol
LogP2.46
Rot. Bonds9

About 2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide

2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide (PubChem CID 55789410) has the molecular formula C19H21BrN2O5 and a molecular weight of 437.29 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
PubChem CID55789410
Molecular FormulaC19H21BrN2O5
Molecular Weight437.29 g/mol
Exact Mass436.06
IUPAC Name2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)COCCOc1ccccc1
InChIInChI=1S/C19H21BrN2O5/c1-14(27-17-9-5-6-15(20)12-17)19(24)22-21-18(23)13-25-10-11-26-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyUYNPPUDUANCMRA-UHFFFAOYSA-N
XLogP2.46
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide 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-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
CID 55347940
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55702572
(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
N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide
CID 17140894
(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-(2-phenoxyethoxy)acetyl]propanehydrazide?
The IUPAC name of 2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide (CID 55789410) is 2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)COCCOc1ccccc1.
What is the InChIKey of 2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide?
The InChIKey is UYNPPUDUANCMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O5/c1-14(27-17-9-5-6-15(20)12-17)19(24)22-21-18(23)13-25-10-11-26-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide?
2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide has a molecular weight of 437.29 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide is sourced from PubChem (CID 55789410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).