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

C24H22BrN3O3 — CID 4187201

IUPAC3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
SMILESCC(CC(=O)Nc1ccccc1-c1ccccc1)=NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C24H22BrN3O3/c1-17(27-28-24(30)16-31-20-13-11-19(25)12-14-20)15-23(29)26-22-10-6-5-9-21(22)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,29)(H,28,30)
InChIKeyRWTFASPRUJXZSX-UHFFFAOYSA-N
MW480.36 g/mol
LogP5.02
Rot. Bonds8

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

3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide (PubChem CID 4187201) has the molecular formula C24H22BrN3O3 and a molecular weight of 480.36 g/mol. Its IUPAC name is 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide.

Molecular Properties

Compound Name3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
PubChem CID4187201
Molecular FormulaC24H22BrN3O3
Molecular Weight480.36 g/mol
Exact Mass479.08
IUPAC Name3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
SMILESCC(CC(=O)Nc1ccccc1-c1ccccc1)=NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C24H22BrN3O3/c1-17(27-28-24(30)16-31-20-13-11-19(25)12-14-20)15-23(29)26-22-10-6-5-9-21(22)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,29)(H,28,30)
InChIKeyRWTFASPRUJXZSX-UHFFFAOYSA-N
XLogP5.02
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.36
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 6142780
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
CID 3484863
N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3543666
N-(2-chlorophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 7227296
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
(3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 6175992
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
CID 3270938
N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide
CID 54784739
N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide
CID 4665636
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
CID 5152097

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
The IUPAC name of 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide (CID 4187201) is 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide.
What is the SMILES notation for 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
The canonical SMILES for 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide is CC(CC(=O)Nc1ccccc1-c1ccccc1)=NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
The InChIKey is RWTFASPRUJXZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O3/c1-17(27-28-24(30)16-31-20-13-11-19(25)12-14-20)15-23(29)26-22-10-6-5-9-21(22)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,29)(H,28,30).
What are the key properties of 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide has a molecular weight of 480.36 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide is sourced from PubChem (CID 4187201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).