N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide

C20H23BrN2O5 — CID 55347940

IUPACN'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
SMILESCOc1ccc(OCCCC(=O)NNC(=O)C(C)Oc2cccc(Br)c2)cc1
InChIInChI=1S/C20H23BrN2O5/c1-14(28-18-6-3-5-15(21)13-18)20(25)23-22-19(24)7-4-12-27-17-10-8-16(26-2)9-11-17/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJVUQNBIQJQKOEX-UHFFFAOYSA-N
MW451.32 g/mol
LogP3.23
Rot. Bonds9

About N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide

N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide (PubChem CID 55347940) has the molecular formula C20H23BrN2O5 and a molecular weight of 451.32 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
PubChem CID55347940
Molecular FormulaC20H23BrN2O5
Molecular Weight451.32 g/mol
Exact Mass450.08
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
SMILESCOc1ccc(OCCCC(=O)NNC(=O)C(C)Oc2cccc(Br)c2)cc1
InChIInChI=1S/C20H23BrN2O5/c1-14(28-18-6-3-5-15(21)13-18)20(25)23-22-19(24)7-4-12-27-17-10-8-16(26-2)9-11-17/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJVUQNBIQJQKOEX-UHFFFAOYSA-N
XLogP3.23
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.23
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 N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide 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
2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
CID 55789410
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide
CID 4791447
(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
CID 9154984
2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
CID 17496367
(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757594
(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
CID 9154957
2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide
CID 55678624

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide (CID 55347940) is N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide is COc1ccc(OCCCC(=O)NNC(=O)C(C)Oc2cccc(Br)c2)cc1.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide?
The InChIKey is JVUQNBIQJQKOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5/c1-14(28-18-6-3-5-15(21)13-18)20(25)23-22-19(24)7-4-12-27-17-10-8-16(26-2)9-11-17/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide?
N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide has a molecular weight of 451.32 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide is sourced from PubChem (CID 55347940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).