3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide

C25H22BrN3O5 — CID 4052541

IUPAC3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide
SMILESC=C(CC(=O)Nc1cc2oc3ccccc3c2cc1OC)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C25H22BrN3O5/c1-15(28-29-25(31)14-33-17-9-7-16(26)8-10-17)11-24(30)27-20-13-22-19(12-23(20)32-2)18-5-3-4-6-21(18)34-22/h3-10,12-13,28H,1,11,14H2,2H3,(H,27,30)(H,29,31)
InChIKeyGQMUUUYURKFAFJ-UHFFFAOYSA-N
MW524.37 g/mol
LogP4.90
Rot. Bonds9

About 3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide

3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide (PubChem CID 4052541) has the molecular formula C25H22BrN3O5 and a molecular weight of 524.37 g/mol. Its IUPAC name is 3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide.

Molecular Properties

Compound Name3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide
PubChem CID4052541
Molecular FormulaC25H22BrN3O5
Molecular Weight524.37 g/mol
Exact Mass523.07
IUPAC Name3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide
SMILESC=C(CC(=O)Nc1cc2oc3ccccc3c2cc1OC)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C25H22BrN3O5/c1-15(28-29-25(31)14-33-17-9-7-16(26)8-10-17)11-24(30)27-20-13-22-19(12-23(20)32-2)18-5-3-4-6-21(18)34-22/h3-10,12-13,28H,1,11,14H2,2H3,(H,27,30)(H,29,31)
InChIKeyGQMUUUYURKFAFJ-UHFFFAOYSA-N
XLogP4.90
TPSA101.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.37
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide 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-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893725
methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
CID 7695279
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 4022781
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 1254177
2-(2,5-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2911367
2-(2,4-dichlorophenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2788847
N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7705710
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide?
The IUPAC name of 3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide (CID 4052541) is 3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide.
What is the SMILES notation for 3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide?
The canonical SMILES for 3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide is C=C(CC(=O)Nc1cc2oc3ccccc3c2cc1OC)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide?
The InChIKey is GQMUUUYURKFAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN3O5/c1-15(28-29-25(31)14-33-17-9-7-16(26)8-10-17)11-24(30)27-20-13-22-19(12-23(20)32-2)18-5-3-4-6-21(18)34-22/h3-10,12-13,28H,1,11,14H2,2H3,(H,27,30)(H,29,31).
What are the key properties of 3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide?
3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide has a molecular weight of 524.37 g/mol, XLogP of 4.90, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide is sourced from PubChem (CID 4052541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).