3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide

C25H24BrN3O4 — CID 3484863

IUPAC3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
SMILESCC(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C25H24BrN3O4/c1-18(28-29-25(31)17-33-22-11-7-20(26)8-12-22)15-24(30)27-21-9-13-23(14-10-21)32-16-19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,27,30)(H,29,31)
InChIKeyVLLWTIIYYIBDPM-UHFFFAOYSA-N
MW510.39 g/mol
LogP4.93
Rot. Bonds10

About 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide

3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide (PubChem CID 3484863) has the molecular formula C25H24BrN3O4 and a molecular weight of 510.39 g/mol. Its IUPAC name is 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide.

Molecular Properties

Compound Name3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
PubChem CID3484863
Molecular FormulaC25H24BrN3O4
Molecular Weight510.39 g/mol
Exact Mass509.10
IUPAC Name3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
SMILESCC(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C25H24BrN3O4/c1-18(28-29-25(31)17-33-22-11-7-20(26)8-12-22)15-24(30)27-21-9-13-23(14-10-21)32-16-19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,27,30)(H,29,31)
InChIKeyVLLWTIIYYIBDPM-UHFFFAOYSA-N
XLogP4.93
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.39
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3543666
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 4187201
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
(3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 6175992
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
CID 5152097
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide
CID 3715044

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide?
The IUPAC name of 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide (CID 3484863) is 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide.
What is the SMILES notation for 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide?
The canonical SMILES for 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide is CC(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide?
The InChIKey is VLLWTIIYYIBDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O4/c1-18(28-29-25(31)17-33-22-11-7-20(26)8-12-22)15-24(30)27-21-9-13-23(14-10-21)32-16-19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,27,30)(H,29,31).
What are the key properties of 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide?
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide has a molecular weight of 510.39 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide is sourced from PubChem (CID 3484863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).