5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C16H15Br2N3O5 — CID 55347873

IUPAC5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H15Br2N3O5/c1-9(25-11-4-2-3-10(17)7-11)15(23)21-20-14(22)8-19-16(24)12-5-6-13(18)26-12/h2-7,9H,8H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeySPKIYNOOYSBMGI-UHFFFAOYSA-N
MW489.12 g/mol
LogP2.15
Rot. Bonds6

About 5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 55347873) has the molecular formula C16H15Br2N3O5 and a molecular weight of 489.12 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID55347873
Molecular FormulaC16H15Br2N3O5
Molecular Weight489.12 g/mol
Exact Mass486.94
IUPAC Name5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H15Br2N3O5/c1-9(25-11-4-2-3-10(17)7-11)15(23)21-20-14(22)8-19-16(24)12-5-6-13(18)26-12/h2-7,9H,8H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeySPKIYNOOYSBMGI-UHFFFAOYSA-N
XLogP2.15
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.12
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide 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

N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9370870
N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-tert-butylbenzamide
CID 55347760
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
CID 17496367
5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide
CID 17169354
5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108539867
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 55347873) is 5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is SPKIYNOOYSBMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N3O5/c1-9(25-11-4-2-3-10(17)7-11)15(23)21-20-14(22)8-19-16(24)12-5-6-13(18)26-12/h2-7,9H,8H2,1H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of 5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 489.12 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 55347873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).